Geometry & MOs

Info

ID:	150445
PubChem CID:	53790135
Reduced:	PN2O6C18H25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	657.7959
ΔH_f, kcal/mol:	-262.0
Dipole, Da:	4.35
IP(EA), eV:	-8.46(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-acetyloxyethyl(methyl)carbamoyl]-5-amino-2,4,6-triiodobenzoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC(=C(C(=C1)OC)O)OC)NC2=CC=NC=C2)OCC

DOS

IR

Vibrations