Geometry & MOs

Info

ID:

91622

PubChem CID:

49977519

Reduced:

N6O7C38H46 (1)

Stoich.:

A6B7C38D46 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-244.2

Dipole, Da:

11.6

IP(EA), eV:

 -8.43(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations