Geometry & MOs

Info

ID:	169423
PubChem CID:	75103022
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	502.153798
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	3.72
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-pyridin-4-ylphenyl)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one

Drug info:

PubChemData

Smile

C1COC(=O)C2C1C=CCC2C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations