Geometry & MOs

Info

ID:	283171
PubChem CID:	103962170
Reduced:	ISN2O4C11H15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	411.99538
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	2.72
IP(EA), eV:	-9.03(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(dimethylamino)propylsulfamoyl]-2-iodobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations