Geometry & MOs

Info

ID:

116540

PubChem CID:

50564714

Reduced:

Cl2N6O6C35H44 (1)

Stoich.:

A2B6C6D35E44 (1)

Weight, g/mol:

510.239769

ΔHf, kcal/mol:

-256.04

Dipole, Da:

11.88

IP(EA), eV:

 -9.0(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-(3-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)C(=O)N2CCOCC2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations