Geometry & MOs

Info

ID:

111751

PubChem CID:

50380463

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-227.7

Dipole, Da:

8.9

IP(EA), eV:

 -8.71(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4C

DOS

IR

Vibrations