Geometry & MOs

Info

ID:	250996
PubChem CID:	103100694
Reduced:	NCl2O2S2C12H17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	298.960826
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	6.44
IP(EA), eV:	-9.46(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCCCC2CCCl)Cl

DOS

IR

Vibrations