Geometry & MOs

Info

ID:	283183
PubChem CID:	103962429
Reduced:	INSO6C11H12 (1)
Stoich.:	ABCD6E11F12 (1)
Weight, g/mol:	383.96407
ΔH_f, kcal/mol:	-206.36
Dipole, Da:	4.91
IP(EA), eV:	-10.47(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminopropylsulfamoyl)-2-iodobenzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)OC)NS(=O)(=O)C1=CC(=C(C=C1)I)C(=O)O

DOS

IR

Vibrations