Geometry & MOs

Info

ID:	250931
PubChem CID:	103100155
Reduced:	FNCl2S2O3H8C11 (1)
Stoich.:	ABC2D2E3F8G11 (1)
Weight, g/mol:	295.010363
ΔH_f, kcal/mol:	-125.91
Dipole, Da:	3.96
IP(EA), eV:	-9.25(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2=C(C(=CC(=C2)F)Cl)O)Cl

DOS

IR

Vibrations