Geometry & MOs
Info
ID: |
439358 |
PubChem CID: |
135229130 |
Reduced: |
ON5C18H27 (1) |
Stoich.: |
AB5C18D27 (1) |
Weight, g/mol: |
963.405458 |
ΔHf, kcal/mol: |
-14.82 |
Dipole, Da: |
5.39 |
IP(EA), eV: |
-8.56(0.01) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6aS)-3-[[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]phenyl]methoxy]-2-methoxy-8-(4-methoxyphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one