Geometry & MOs

Info

ID:

116317

PubChem CID:

50556485

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

687.2187

ΔHf, kcal/mol:

-187.7

Dipole, Da:

4.71

IP(EA), eV:

 -8.46(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-bromo-4,5-dimethylanilino)-3-oxopropyl]-1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C)Cl

DOS

IR

Vibrations