Geometry & MOs

Info

ID:

94550

PubChem CID:

50002218

Reduced:

N6O6C35H50 (1)

Stoich.:

A6B6C35D50 (1)

Weight, g/mol:

647.1874

ΔHf, kcal/mol:

-268.84

Dipole, Da:

9.43

IP(EA), eV:

 -8.58(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-chloroanilino)-3-oxopropyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C

DOS

IR

Vibrations