Geometry & MOs

Info

ID:

93172

PubChem CID:

49992205

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

639.24202

ΔHf, kcal/mol:

-175.71

Dipole, Da:

5.4

IP(EA), eV:

 -8.63(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations