Geometry & MOs

Info

ID:	9392
PubChem CID:	88994
Reduced:	N2I3O4H11C12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	627.7853
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	7.64
IP(EA), eV:	-9.91(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I

DOS

IR

Vibrations