Geometry & MOs

Info

ID:

93712

PubChem CID:

49996288

Reduced:

O5N6C39H56 (1)

Stoich.:

A5B6C39D56 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-240.37

Dipole, Da:

4.71

IP(EA), eV:

 -9.02(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-carbamoyl-3-chloroanilino)-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations