Geometry & MOs

Info

ID:

119360

PubChem CID:

50680647

Reduced:

Cl2N6O7C35H44 (1)

Stoich.:

A2B6C7D35E44 (1)

Weight, g/mol:

716.308911

ΔHf, kcal/mol:

-288.39

Dipole, Da:

9.68

IP(EA), eV:

 -9.18(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[3-[(4-methoxybenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations