Geometry & MOs

Info

ID:

116897

PubChem CID:

50579897

Reduced:

Cl2O5N6C35H38 (1)

Stoich.:

A2B5C6D35E38 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-170.52

Dipole, Da:

5.96

IP(EA), eV:

 -8.56(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl)Cl

DOS

IR

Vibrations