Geometry & MOs

Info

ID:	302029
PubChem CID:	123111448
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	430.082653
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	4.67
IP(EA), eV:	-8.81(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)S(=O)CC=C

DOS

IR

Vibrations