Geometry & MOs
Info
ID: |
328972 |
PubChem CID: |
126729877 |
Reduced: |
OC14H20 (1) |
Stoich.: |
AB14C20 (1) |
Weight, g/mol: |
840.395896 |
ΔHf, kcal/mol: |
-35.29 |
Dipole, Da: |
1.84 |
IP(EA), eV: |
-8.58(0.32) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[4-[[4-[4-[[2-methoxy-11-oxo-8-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]phenyl]-N,1-dimethylpyrrole-2-carboxamide