Geometry & MOs

Info

ID:

92016

PubChem CID:

49981671

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

653.25767

ΔHf, kcal/mol:

-183.31

Dipole, Da:

5.61

IP(EA), eV:

 -8.47(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-bromo-4,5-dimethylanilino)-3-oxopropyl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C)C

DOS

IR

Vibrations