Geometry & MOs

Info

ID:	105311
PubChem CID:	50106885
Reduced:	ClFO3N4C30H32 (1)
Stoich.:	ABC3D4E30F32 (1)
Weight, g/mol:	536.199047
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	10.46
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)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)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations