Geometry & MOs

Info

ID:

105347

PubChem CID:

50106972

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-207.8

Dipole, Da:

1.87

IP(EA), eV:

 -9.2(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations