Geometry & MOs
Info
ID: |
325632 |
PubChem CID: |
126684261 |
Reduced: |
OSN3C4H9 (1) |
Stoich.: |
ABC3D4E9 (1) |
Weight, g/mol: |
1342.543408 |
ΔHf, kcal/mol: |
-10.0 |
Dipole, Da: |
4.78 |
IP(EA), eV: |
-8.7(-0.56) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S,6S)-6-[4-[[3-[(6aS)-3-[3-[[(6aS)-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]phenyl]carbamoyloxymethyl]-2-[3-[6-[3-(2-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]hexanoylamino]propanoylamino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid