Geometry & MOs
Info
ID: |
85261 |
PubChem CID: |
49873255 |
Reduced: |
O2C7H9 (2) |
Stoich.: |
A2B7C9 (2) |
Weight, g/mol: |
794.354031 |
ΔHf, kcal/mol: |
-167.96 |
Dipole, Da: |
4.06 |
IP(EA), eV: |
-9.46(-0.76) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[(1R)-2-[(2S)-2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate