Geometry & MOs
Info
ID: |
439339 |
PubChem CID: |
135229110 |
Reduced: |
O2N3C13H23 (1) |
Stoich.: |
A2B3C13D23 (1) |
Weight, g/mol: |
693.295119 |
ΔHf, kcal/mol: |
-82.33 |
Dipole, Da: |
5.24 |
IP(EA), eV: |
-8.87(-0.06) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(12aS)-9-[[3-[[(12aS)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-aminophenyl]methoxy]-8-methoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one