Geometry & MOs
Info
ID: |
435071 |
PubChem CID: |
135179549 |
Reduced: |
FC14H17 (1) |
Stoich.: |
AB14C17 (1) |
Weight, g/mol: |
1143.425936 |
ΔHf, kcal/mol: |
-40.62 |
Dipole, Da: |
1.36 |
IP(EA), eV: |
-9.43(0.12) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(12aS)-9-[[3-[[(12aS)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-[[4-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-4-oxobutyl]-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]phenyl]methoxy]-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepine-12-sulfonic acid