Geometry & MOs

Info

ID:	250871
PubChem CID:	103099638
Reduced:	ClNS2O4C12H18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	308.989628
ΔH_f, kcal/mol:	-164.14
Dipole, Da:	2.27
IP(EA), eV:	-9.41(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N(CCCC(=O)O)C(C)C)Cl

DOS

IR

Vibrations