Geometry & MOs

Info

ID:	250946
PubChem CID:	103100282
Reduced:	ClNS2O4C12H18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	337.057314
ΔH_f, kcal/mol:	-158.13
Dipole, Da:	3.52
IP(EA), eV:	-9.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CC(OC(C2)(C)C)CO)Cl

DOS

IR

Vibrations