Geometry & MOs

Info

ID:

114703

PubChem CID:

50493535

Reduced:

F3O4N5C35H40 (1)

Stoich.:

A3B4C5D35E40 (1)

Weight, g/mol:

556.209753

ΔHf, kcal/mol:

-277.74

Dipole, Da:

4.88

IP(EA), eV:

 -9.23(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NCC3=CC=C(C=C3)F)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations