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
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 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 |