Geometry & MOs

Info

ID:

444231

PubChem CID:

135261813

Reduced:

FN7H26C29 (1)

Stoich.:

AB7C26D29 (1)

Weight, g/mol:

1263.555366

ΔHf, kcal/mol:

148.42

Dipole, Da:

4.74

IP(EA), eV:

 -8.44(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8S)-8-(chloromethyl)-1-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carbonyl]-7,8-dihydrothieno[3,2-e]indol-4-yl] N-[3-[[4-[[5-amino-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]-carbamoylamino]phenyl]methoxycarbonyl-methylamino]-2,2-dimethylpropyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC=C6)/C=C32)F

DOS

IR

Vibrations