Geometry & MOs

Info

ID:	250863
PubChem CID:	103099584
Reduced:	NCl2S2O4H9C12 (1)
Stoich.:	AB2C2D4E9F12 (1)
Weight, g/mol:	344.989628
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	5.49
IP(EA), eV:	-9.15(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations