Geometry & MOs

Info

ID:	177225
PubChem CID:	76148356
Reduced:	FO3N4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	427.082049
ΔH_f, kcal/mol:	-27.43
Dipole, Da:	4.84
IP(EA), eV:	-8.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)NCCN2C=CN3C2=CC(=N3)C4=CC=CO4)F

DOS

IR

Vibrations