Geometry & MOs

Info

ID:

105219

PubChem CID:

50106670

Reduced:

O5N6C32H36 (1)

Stoich.:

A5B6C32D36 (1)

Weight, g/mol:

550.214697

ΔHf, kcal/mol:

-158.87

Dipole, Da:

6.79

IP(EA), eV:

 -8.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations