Geometry & MOs

Info

ID:

103718

PubChem CID:

50072413

Reduced:

FO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

566.209611

ΔHf, kcal/mol:

-185.36

Dipole, Da:

11.92

IP(EA), eV:

 -8.72(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=C(C=C6)F)C

DOS

IR

Vibrations