Geometry & MOs

Info

ID:	103780
PubChem CID:	50073072
Reduced:	FO3N4C29H31 (1)
Stoich.:	AB3C4D29E31 (1)
Weight, g/mol:	570.160074
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	8.83
IP(EA), eV:	-8.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4)F

DOS

IR

Vibrations