Geometry & MOs
Info
ID: |
181875 |
PubChem CID: |
76808534 |
Reduced: |
NOC13H16 (1) |
Stoich.: |
ABC13D16 (1) |
Weight, g/mol: |
1214.487997 |
ΔHf, kcal/mol: |
9.96 |
Dipole, Da: |
2.44 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.074654 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[3-[5-[2-[4-[2-[4-[3-[[2-(2-amino-2-oxoethyl)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]phenyl]-2-oxoethyl]phenyl]-2-oxoethyl]-1H-indole-2-carbonyl]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate