Geometry & MOs

Info

ID:

116050

PubChem CID:

50544858

Reduced:

ClO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

629.25356

ΔHf, kcal/mol:

-195.07

Dipole, Da:

8.48

IP(EA), eV:

 -8.93(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations