Geometry & MOs

Info

ID:	103967
PubChem CID:	50085997
Reduced:	O3F4N4H28C29 (1)
Stoich.:	A3B4C4D28E29 (1)
Weight, g/mol:	520.228597
ΔH_f, kcal/mol:	-277.68
Dipole, Da:	8.0
IP(EA), eV:	-8.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations