Geometry & MOs

Info

ID:	105220
PubChem CID:	50106671
Reduced:	ClFO3N4C30H32 (1)
Stoich.:	ABC3D4E30F32 (1)
Weight, g/mol:	516.253669
ΔH_f, kcal/mol:	-139.18
Dipole, Da:	7.59
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(3-methylphenyl)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=C(C=C4)Cl)C

DOS

IR

Vibrations