Geometry & MOs

Info

ID:	280189
PubChem CID:	103847440
Reduced:	ClN2S2O4H9C11 (1)
Stoich.:	AB2C2D4E9F11 (1)
Weight, g/mol:	312.023849
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	7.87
IP(EA), eV:	-9.64(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

DOS

IR

Vibrations