Geometry & MOs

Info

ID:	283184
PubChem CID:	103962468
Reduced:	ISN2O4C10H13 (1)
Stoich.:	ABC2D4E10F13 (1)
Weight, g/mol:	437.9205
ΔH_f, kcal/mol:	-118.14
Dipole, Da:	5.03
IP(EA), eV:	-9.71(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-[1-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NCCCN)C(=O)O)I

DOS

IR

Vibrations