Geometry & MOs

Info

ID:	147360
PubChem CID:	53787016
Reduced:	ClNI3O4C11H11 (1)
Stoich.:	ABC3D4E11F11 (1)
Weight, g/mol:	600.7744
ΔH_f, kcal/mol:	-124.2
Dipole, Da:	4.65
IP(EA), eV:	-10.08(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[acetyl(methyl)amino]-5-(hydroxymethyl)-2,4,6-triiodobenzoic acid

Drug info:

PubChemData

Smile

CC(=O)[NH+](C)C1=C(C(=C(C(=C1I)C(=O)O)I)CO)I.[Cl-]

DOS

IR

Vibrations