Geometry & MOs

Info

ID:	184152
PubChem CID:	77119127
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	454.150427
ΔH_f, kcal/mol:	10.95
Dipole, Da:	7.17
IP(EA), eV:	-8.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-6-(4-phenylphenyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CNC3C(C2=S)C(=O)NC(N3)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations