Geometry & MOs

Info

ID:	250979
PubChem CID:	103100554
Reduced:	ClNS2O4C12H18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	323.005278
ΔH_f, kcal/mol:	-162.82
Dipole, Da:	3.05
IP(EA), eV:	-9.52(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC)Cl

DOS

IR

Vibrations