Geometry & MOs

Info

ID:

117951

PubChem CID:

50621881

Reduced:

Cl2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

728.228074

ΔHf, kcal/mol:

-164.84

Dipole, Da:

8.5

IP(EA), eV:

 -8.59(-0.66)

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-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations