The small-molecule antiviral compound Molnupiravir: an exploration of its tautomers.

DOI: 10.14469/hpc/7990 Metadata

Created: 2021-03-14 07:35

Last modified: 2021-05-29 08:35

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 calculations

Member of collection / collaboration

DOIDescription
10.14469/hpc/177 Computation data for Henry Rzepa's blog

Members

DOIDescription
10.14469/hpc/7987 Molnupiravir, oxime form G = -1197.923694 NICS
10.14469/hpc/7989 Molnupiravir, hydroxylamine tautomer G = -1197.918549 NICS
10.14469/hpc/7981 Molnupiravir, enol form G = -1197.891638
10.14469/hpc/7982 Molnupiravir, nitrone-enol form G = -1197.885848
10.14469/hpc/7986 Molnupiravir, oxime form G = -1197.923694
10.14469/hpc/7988 Molnupiravir, hydroxylamine tautomer G = -1197.918549
10.14469/hpc/7985 Molnupiravir, nitrone-keto form G = -1197.915141

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