Geometry & MOs

Info

ID:	283182
PubChem CID:	103962360
Reduced:	INSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	412.94301
ΔH_f, kcal/mol:	-111.48
Dipole, Da:	5.35
IP(EA), eV:	-9.84(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCN(C1CC1)S(=O)(=O)C2=CC(=C(C=C2)I)C(=O)O

DOS

IR

Vibrations