Geometry & MOs

Info

ID:

111661

PubChem CID:

50377204

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

643.292532

ΔHf, kcal/mol:

-176.3

Dipole, Da:

8.71

IP(EA), eV:

 -8.62(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C(C)C)C

DOS

IR

Vibrations