Geometry & MOs

Info

ID:

104204

PubChem CID:

50096626

Reduced:

FO4N5C39H48 (1)

Stoich.:

AB4C5D39E48 (1)

Weight, g/mol:

607.23616

ΔHf, kcal/mol:

-205.4

Dipole, Da:

7.34

IP(EA), eV:

 -8.69(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(methylcarbamoyl)phenyl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C)C

DOS

IR

Vibrations