Geometry & MOs

Info

ID:

444212

PubChem CID:

135261728

Reduced:

FON5H18C26 (1)

Stoich.:

ABC5D18E26 (1)

Weight, g/mol:

1221.508416

ΔHf, kcal/mol:

111.76

Dipole, Da:

4.72

IP(EA), eV:

 -8.5(-1.9)

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-[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

Drug info:

PubChemData

Smile

COC1=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