Geometry & MOs

Info

ID:

93173

PubChem CID:

49992206

Reduced:

BrO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

653.25767

ΔHf, kcal/mol:

-172.07

Dipole, Da:

3.01

IP(EA), eV:

 -8.89(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations