Geometry & MOs

Info

ID:	1062
PubChem CID:	3737
Reduced:	N2I3O4H9C11 (1)
Stoich.:	A2B3C4D9E11 (1)
Weight, g/mol:	613.7696
ΔH_f, kcal/mol:	-85.88
Dipole, Da:	6.25
IP(EA), eV:	-9.78(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I

DOS

IR

Vibrations