Geometry & MOs

Info

ID:

108284

PubChem CID:

50239920

Reduced:

F2N6O6C39H44 (1)

Stoich.:

A2B6C6D39E44 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-296.76

Dipole, Da:

7.07

IP(EA), eV:

 -8.97(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(propylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N6CCOCC6

DOS

IR

Vibrations