Geometry & MOs

Info

ID:

107256

PubChem CID:

50196357

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-228.74

Dipole, Da:

9.62

IP(EA), eV:

 -8.8(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations