Geometry & MOs

Info

ID:	250884
PubChem CID:	103099701
Reduced:	ClNS2O4C12H16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	337.020928
ΔH_f, kcal/mol:	-160.48
Dipole, Da:	2.38
IP(EA), eV:	-9.55(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-ethylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2CCCC(C2)C(=O)O)Cl

DOS

IR

Vibrations