10.14469/HPC/7981
Henry Rzepa
0000-0002-8635-8390
Imperial College London
Imperial College London
Imperial College Research Computing Service
Henry Rzepa
0000-0002-8635-8390
Imperial College London
Gaussian Calculation
Molnupiravir, enol form G = -1197.891638
Imperial College London
2021
2021-03-07 16:25:32.465627
2021-04-08 13:09:27.542784
https://data.hpc.imperial.ac.uk/resolve/?ore=7981
https://data.hpc.imperial.ac.uk/resolve/?doi=7981&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=7981&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=7981&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=7981&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=7981&file=5
10.14469/hpc/7990
-1197.891638
InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,20-21H,5H2,1-2H3/t7-,9-,10-,11-/m1/s1
InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1
HTNPEHXGEKVIHG-QCNRFFRDSA-N
IVQHUBRLEMXHGE-QCNRFFRDSA-N
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