Geometry & MOs

Info

ID:

100212

PubChem CID:

50059193

Reduced:

BrO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

629.276883

ΔHf, kcal/mol:

-111.26

Dipole, Da:

12.27

IP(EA), eV:

 -8.52(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C(=O)N(C)C

DOS

IR

Vibrations