Geometry & MOs

Info

ID:	109756
PubChem CID:	50296236
Reduced:	F2O3N4C29H30 (1)
Stoich.:	A2B3C4D29E30 (1)
Weight, g/mol:	588.150652
ΔH_f, kcal/mol:	-166.99
Dipole, Da:	5.76
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations