Geometry & MOs

Info

ID:

112235

PubChem CID:

50399451

Reduced:

F3N6O6C40H41 (1)

Stoich.:

A3B6C6D40E41 (1)

Weight, g/mol:

456.192818

ΔHf, kcal/mol:

-316.96

Dipole, Da:

10.65

IP(EA), eV:

 -8.47(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)OC)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations