Geometry & MOs

Info

ID:	250879
PubChem CID:	103099674
Reduced:	ClN2S2O4H9C11 (1)
Stoich.:	AB2C2D4E9F11 (1)
Weight, g/mol:	323.005278
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	7.71
IP(EA), eV:	-9.79(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations