Geometry & MOs

Info

ID:	250882
PubChem CID:	103099686
Reduced:	ClNS2O4C13H18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	308.989628
ΔH_f, kcal/mol:	-163.56
Dipole, Da:	10.09
IP(EA), eV:	-9.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCCCC2CCC(=O)O)Cl

DOS

IR

Vibrations