Geometry & MOs

Info

ID:	251111
PubChem CID:	103101547
Reduced:	ISN2O5C11H13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	286.062343
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	5.37
IP(EA), eV:	-9.94(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=CC(=C(C=C1)I)C(=O)O

DOS

IR

Vibrations