Geometry & MOs

Info

ID:	283172
PubChem CID:	103962209
Reduced:	ISN2O4C12H17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	407.92769
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	5.52
IP(EA), eV:	-8.92(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)I)C(=O)O

DOS

IR

Vibrations