Geometry & MOs

Info

ID:	103517
PubChem CID:	50071658
Reduced:	FO3N4C30H33 (1)
Stoich.:	AB3C4D30E33 (1)
Weight, g/mol:	520.228597
ΔH_f, kcal/mol:	-132.37
Dipole, Da:	3.8
IP(EA), eV:	-8.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations