Geometry & MOs

Info

ID:

111441

PubChem CID:

50367657

Reduced:

BrO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-180.63

Dipole, Da:

9.1

IP(EA), eV:

 -8.87(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations