Geometry & MOs

Info

ID:	283177
PubChem CID:	103962310
Reduced:	ISN2O5C12H15 (1)
Stoich.:	ABC2D5E12F15 (1)
Weight, g/mol:	411.00013
ΔH_f, kcal/mol:	-171.67
Dipole, Da:	3.83
IP(EA), eV:	-10.07(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-[methyl(3-methylbutan-2-yl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)I)C(=O)O

DOS

IR

Vibrations