Geometry & MOs

Info

ID:

115352

PubChem CID:

50519992

Reduced:

Cl2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

666.212424

ΔHf, kcal/mol:

-180.07

Dipole, Da:

4.37

IP(EA), eV:

 -9.1(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-benzamido-4-chloroanilino)-3-oxopropyl]-1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations