Geometry & MOs

Info

ID:

113640

PubChem CID:

50453078

Reduced:

F3O3N4C30H31 (1)

Stoich.:

A3B3C4D30E31 (1)

Weight, g/mol:

563.234411

ΔHf, kcal/mol:

-225.01

Dipole, Da:

4.79

IP(EA), eV:

 -8.96(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoylphenyl)-1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)F

DOS

IR

Vibrations