Geometry & MOs
Info
ID: |
326937 |
PubChem CID: |
126688733 |
Reduced: |
SO6C13H16 (1) |
Stoich.: |
AB6C13D16 (1) |
Weight, g/mol: |
880.397553 |
ΔHf, kcal/mol: |
-239.03 |
Dipole, Da: |
6.7 |
IP(EA), eV: |
-9.64(-0.7) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4S,9aS)-N-[2-[[2-[[(4S,9aS)-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carbonyl]amino]-6-methylphenyl]disulfanyl]phenyl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide