Geometry & MOs

Info

ID:

117981

PubChem CID:

50622819

Reduced:

Cl2O5N6H36C37 (1)

Stoich.:

A2B5C6D36E37 (1)

Weight, g/mol:

714.212424

ΔHf, kcal/mol:

-144.67

Dipole, Da:

9.2

IP(EA), eV:

 -8.68(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations