Geometry & MOs

Info

ID:

97392

PubChem CID:

50031134

Reduced:

F3N5O5H36C37 (1)

Stoich.:

A3B5C5D36E37 (1)

Weight, g/mol:

554.189625

ΔHf, kcal/mol:

-259.78

Dipole, Da:

14.25

IP(EA), eV:

 -8.85(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)OC

DOS

IR

Vibrations