Geometry & MOs

Info

ID:	287368
PubChem CID:	104239356
Reduced:	N2S2O3C8H12 (1)
Stoich.:	A2B2C3D8E12 (1)
Weight, g/mol:	298.008199
ΔH_f, kcal/mol:	-103.64
Dipole, Da:	4.83
IP(EA), eV:	-9.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(sulfamoylmethyl)-1,3-thiazol-4-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)SC(=N2)CS(=O)(=O)N)O

DOS

IR

Vibrations