Geometry & MOs

Info

ID:

93501

PubChem CID:

49995081

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

629.25356

ΔHf, kcal/mol:

-189.23

Dipole, Da:

4.0

IP(EA), eV:

 -8.62(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations