Geometry & MOs

Info

ID:	278302
PubChem CID:	103834723
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	365.00966
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	4.54
IP(EA), eV:	-9.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CO)NS(=O)(=O)C2=CC=CC=C2C#N

DOS

IR

Vibrations