Geometry & MOs

Info

ID:	283180
PubChem CID:	103962328
Reduced:	INSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	410.96374
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	5.83
IP(EA), eV:	-9.76(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-(oxan-4-ylsulfamoyl)benzoic acid

Drug info:

PubChemData

Smile

CCCN(CC1CC1)S(=O)(=O)C2=CC(=C(C=C2)I)C(=O)O

DOS

IR

Vibrations