Geometry & MOs

Info

ID:	201979
PubChem CID:	79612696
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	315.130443
ΔH_f, kcal/mol:	-146.97
Dipole, Da:	4.03
IP(EA), eV:	-9.36(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CC(C2CC3CCC2O3)N

DOS

IR

Vibrations