Geometry & MOs

Info

ID:	278290
PubChem CID:	103834646
Reduced:	BrNS2O3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	287.099143
ΔH_f, kcal/mol:	-120.96
Dipole, Da:	4.08
IP(EA), eV:	-9.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)N2CCC(CC2)C(C)O

DOS

IR

Vibrations