Geometry & MOs

Info

ID:	23113
PubChem CID:	602011
Reduced:	SN2O2H4C7 (1)
Stoich.:	AB2C2D4E7 (1)
Weight, g/mol:	179.999349
ΔH_f, kcal/mol:	-0.21
Dipole, Da:	4.35
IP(EA), eV:	-9.91(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,1,3-benzothiadiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=NSN=C2C=C1C(=O)O

DOS

IR

Vibrations