Geometry & MOs

Info

ID:	56785
PubChem CID:	22389714
Reduced:	N2O6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	557.7434
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	2.58
IP(EA), eV:	-9.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-carbamoyl-2,4,6-triiodobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1O)C)C(=O)C)(C2=CC=CC=C2[N+](=O)[O-])O)C(=O)C

DOS

IR

Vibrations