Geometry & MOs
Info
ID: |
444385 |
PubChem CID: |
135262237 |
Reduced: |
O3C14H18 (1) |
Stoich.: |
A3B14C18 (1) |
Weight, g/mol: |
1379.556429 |
ΔHf, kcal/mol: |
-52.02 |
Dipole, Da: |
2.03 |
IP(EA), eV: |
-9.58(0.14) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(8S)-8-(chloromethyl)-1-methyl-6-[5-[[5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carbonyl]amino]-1H-indole-2-carbonyl]-7,8-dihydrothieno[3,2-e]indol-4-yl] N-[2-[[4-[[(2S)-5-amino-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]-carbamoylamino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate