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Sulfoximines

DOI: 10.14469/hpc/7859 Metadata

Created: 2021-02-02 13:40

Last modified: 2021-02-04 08:11

Author: Alan Armstrong

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Portal project

Files

FilenameSizeTypeDescription
AM112_R_conf3_camB3LYP.log 1MB chemical/x-gaussian-log R-5h conf 3 opt
AM112_R_conf3_CD.log 250KB chemical/x-gaussian-log R-5h conf 3 Gaussian CD calc
AM112_R_conf3_CD_ecd.txt 43KB text/plain R-5h conf 3 ECD data
AM112_R_conf1_camB3LYP.log 1MB chemical/x-gaussian-log R-5h conf 1 opt
AM112_R_conf1_CD.log 248KB chemical/x-gaussian-log R-5h conf 1 Gaussian CD calc
AM112_R_conf1_CD_ecd.txt 43KB text/plain R-5h conf 1 ECD data
AM112_R_conf13_camB3LYP.log 830KB chemical/x-gaussian-log R-5h conf 13 opt
AM112_R_conf13_CD.log 249KB chemical/x-gaussian-log R-5h conf 13 Gaussian CD calc
AM112_R_conf13_CD_ecd.txt 43KB text/plain R-5h conf 13 ECD data
AM112_R_conf15_camB3LYP.log 1MB chemical/x-gaussian-log R-5h conf 15 opt
AM112_R_conf15_CD.log 250KB chemical/x-gaussian-log R-5h conf 15 Gaussian CD calc
AM112_R_conf15_CD_ecd.txt 43KB text/plain R-5h conf 15 ECD data
IC9_SR_sulfox3amine7_camB3LYP.log 1MB chemical/x-gaussian-log (S,R)-10g conf 3 opt
IC9_SR_sulfox3amine7_CD.log 261KB chemical/x-gaussian-log (S,R)-10g conf 3 Gaussian CD calc
IC9_SR_sulfox3amine7_CD_ecd.txt 43KB text/plain (S,R)-10g conf 3 ECD data
IC9_SR_sulfox1amine7_camB3LYP.log 1MB chemical/x-gaussian-log (S,R)-10g conf 1 opt
IC9_SR_sulfox1amine7_CD.log 262KB chemical/x-gaussian-log (S,R)-10g conf 1 Gaussian CD calc
IC9_SR_sulfox1amine7_CD_ecd.txt 43KB text/plain (S,R)-10g conf 1 ECD data
IC9_SR_sulfox13amine7_camB3LYP.log 980KB chemical/x-gaussian-log (S,R)-10g conf 13 opt
IC9_SR_sulfox13amine7_CD.log 262KB chemical/x-gaussian-log (S,R)-10g conf 13 Gaussian CD calc
IC9_SR_sulfox13amine7_CD_ecd.txt 43KB text/plain (S,R)-10g conf 13 ECD data
IC9_SR_sulfox15amine7_camB3LYP.log 1MB chemical/x-gaussian-log (S,R)-10g conf 15 opt
IC9_SR_sulfox15amine7_CD.log 262KB chemical/x-gaussian-log (S,R)-10g conf 15 Gaussian CD calc
IC9_SR_sulfox15amine7_CD_ecd.txt 43KB text/plain (S,R)-10g conf 15 ECD data
IC9_SS_sulfox3amine7_camB3LYP.log 979KB chemical/x-gaussian-log (S,S)-10g conf 3 opt
IC9_SS_sulfox3amine7_CD.log 264KB chemical/x-gaussian-log (S,S)-10g conf 3 Gaussian CD calc
IC9_SS_sulfox3amine7_CD_ecd.txt 43KB text/plain (S,S)-10g conf 3 ECD data
IC9_SS_sulfox1amine7_CD.log 263KB chemical/x-gaussian-log (S,S)-10g conf 1 opt
IC9_SS_sulfox1amine7_CD.log 263KB chemical/x-gaussian-log (S,S)-10g conf 1 Gaussian CD calc
IC9_SS_sulfox1amine7_CD_ecd.txt 43KB text/plain (S,S)-10g conf 1 ECD data
IC9_SS_sulfox13amine7_camB3LYP.log 1MB chemical/x-gaussian-log (S,S)-10g conf 13 opt
IC9_SS_sulfox13amine7_CD.log 262KB chemical/x-gaussian-log (S,S)-10g conf 13 Gaussian CD calc
IC9_SS_sulfox13amine7_CD_ecd.txt 43KB text/plain (S,S)-10g conf 13 ECD data
IC9_SS_sulfox15amine7_camB3LYP.log 1MB chemical/x-gaussian-log (S,S)-10g conf 15 opt
IC9_SS_sulfox15amine7_CD.log 263KB chemical/x-gaussian-log (S,S)-10g conf 15 Gaussian CD calc
IC9_SS_sulfox15amine7_CD_ecd.txt 43KB text/plain (S,S)-10g conf 15 ECD data

Members

DOIDescription
10.14469/hpc/7860 R-substructure-10g conf 3
10.14469/hpc/7861 R-substructure-10g conf 1
10.14469/hpc/7863 R-substructure-10g conf 15
10.14469/hpc/7862 R-substructure-10g conf 13

Subject Keywords

KeywordValue
inchi InChI=1S/C17H20N2OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16,19H,11-12,18H2/b14-13+/t16-/m0/s1
inchi InChI=1S/C17H15NOS/c1-3-15-6-8-16(9-7-15)12-13-20(18,19)17-10-4-14(2)5-11-17/h1,4-13,18H,2H3/b13-12+
inchi InChI=1S/C17H20N2OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16,19H,11-12,18H2/b14-13+/t16-/m0/s1
inchi InChI=1S/C17H15NOS/c1-3-15-6-8-16(9-7-15)12-13-20(18,19)17-10-4-14(2)5-11-17/h1,4-13,18H,2H3/b13-12+
inchi InChI=1S/C17H20N2OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16,19H,11-12,18H2/b14-13+/t16-/m0/s1
inchi InChI=1S/C17H15NOS/c1-3-15-6-8-16(9-7-15)12-13-20(18,19)17-10-4-14(2)5-11-17/h1,4-13,18H,2H3/b13-12+
inchi InChI=1S/C17H20N2OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16,19H,11-12,18H2/b14-13+/t16-/m0/s1
inchi InChI=1S/C17H15NOS/c1-3-15-6-8-16(9-7-15)12-13-20(18,19)17-10-4-14(2)5-11-17/h1,4-13,18H,2H3/b13-12+
inchi InChI=1S/C17H20N2OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16,19H,11-12,18H2/b14-13+/t16-/m0/s1
inchi InChI=1S/C17H15NOS/c1-3-15-6-8-16(9-7-15)12-13-20(18,19)17-10-4-14(2)5-11-17/h1,4-13,18H,2H3/b13-12+
inchi InChI=1S/C17H20N2OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16,19H,11-12,18H2/b14-13+/t16-/m0/s1
inchi InChI=1S/C17H15NOS/c1-3-15-6-8-16(9-7-15)12-13-20(18,19)17-10-4-14(2)5-11-17/h1,4-13,18H,2H3/b13-12+
inchi InChI=1S/C17H20N2OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16,19H,11-12,18H2/b14-13+/t16-/m0/s1
inchi InChI=1S/C17H15NOS/c1-3-15-6-8-16(9-7-15)12-13-20(18,19)17-10-4-14(2)5-11-17/h1,4-13,18H,2H3/b13-12+
inchi InChI=1S/C17H20N2OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16,19H,11-12,18H2/b14-13+/t16-/m0/s1
inchi InChI=1S/C17H15NOS/c1-3-15-6-8-16(9-7-15)12-13-20(18,19)17-10-4-14(2)5-11-17/h1,4-13,18H,2H3/b13-12+
inchikey BEZNTJBEORIZPG-VUSFMPOISA-N
inchikey NJRSAWHWHKBMOK-OUKQBFOZSA-N
inchikey BEZNTJBEORIZPG-VUSFMPOISA-N

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