Geometry & MOs
Info
ID: |
433170 |
PubChem CID: |
135173307 |
Reduced: |
ClNO3C14H18 (1) |
Stoich.: |
ABC3D14E18 (1) |
Weight, g/mol: |
1329.595778 |
ΔHf, kcal/mol: |
-143.5 |
Dipole, Da: |
4.67 |
IP(EA), eV: |
-9.89(-0.55) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[4-[[(2S)-2-[[2-[[4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylpropoxy]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (6aS)-3-[3-[[(6aS)-2-methoxy-14-oxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methoxy-14-oxo-6,6a,7,12-tetrahydroisoquinolino[3,2-c][1,4]benzodiazepine-5-carboxylate