Geometry & MOs
Info
ID: |
162799 |
PubChem CID: |
57570897 |
Reduced: |
SO3C9H18 (1) |
Stoich.: |
AB3C9D18 (1) |
Weight, g/mol: |
735.309055 |
ΔHf, kcal/mol: |
-163.44 |
Dipole, Da: |
2.27 |
IP(EA), eV: |
-9.55(0.0) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6aS)-3-[[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]-5-[methyl-(2-methyl-2-sulfanylpropyl)amino]phenyl]methoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one