Geometry & MOs

Info

ID:	250887
PubChem CID:	103099715
Reduced:	ClN2S3O4C11H11 (1)
Stoich.:	AB2C3D4E11F11 (1)
Weight, g/mol:	344.989628
ΔH_f, kcal/mol:	-109.84
Dipole, Da:	5.25
IP(EA), eV:	-9.68(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-6-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCC2=NC(=C(S2)C(=O)O)C)Cl

DOS

IR

Vibrations