Geometry & MOs

Info

ID:

425889

PubChem CID:

135129359

Reduced:

N8O9C32H44 (1)

Stoich.:

A8B9C32D44 (1)

Weight, g/mol:

747.28171

ΔHf, kcal/mol:

-360.03

Dipole, Da:

3.91

IP(EA), eV:

 -8.87(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[2-[[2-[2-[[8-(chloromethyl)-1,6-dimethyl-3a,7,8,8b-tetrahydrothieno[3,2-e]indol-4-yl]oxy]ethyl-(2-formamidoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide

Drug info:

PubChemData

Smile

CNC(=O)NCCCC(C(=O)NC1=CC=C(C=C1)COC(=O)N2CCN(CC2)C=O)NC(=O)CNC(=O)CCCCCN3C(=O)C=CC3=O

DOS

IR

Vibrations