Geometry & MOs

Info

ID:

119998

PubChem CID:

50711042

Reduced:

Cl2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

693.17174

ΔHf, kcal/mol:

-194.04

Dipole, Da:

4.66

IP(EA), eV:

 -9.08(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)NC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations