Geometry & MOs

Info

ID:	278303
PubChem CID:	103834728
Reduced:	BrFNSO3C13H17 (1)
Stoich.:	ABCDE3F13G17 (1)
Weight, g/mol:	304.064841
ΔH_f, kcal/mol:	-155.13
Dipole, Da:	3.77
IP(EA), eV:	-9.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chloropyridin-3-yl)sulfonylpiperidin-3-yl]ethanol

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)F)CCO

DOS

IR

Vibrations