Geometry & MOs

Info

ID:	424208
PubChem CID:	135121743
Reduced:	ClN2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	817.687
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	1.23
IP(EA), eV:	-8.64(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

sodium;(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid;hydrate

Drug info:

PubChemData

Smile

CCCCNC1=CC=CC=N1.Cl

DOS

IR

Vibrations