Geometry & MOs

Info

ID:

112036

PubChem CID:

50392872

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

653.25767

ΔHf, kcal/mol:

-185.44

Dipole, Da:

2.83

IP(EA), eV:

 -8.89(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations