Geometry & MOs

Info

ID:	2129
PubChem CID:	5919
Reduced:	NNaI3O4H11C15 (1)
Stoich.:	ABC3D4E11F15 (1)
Weight, g/mol:	672.772
ΔH_f, kcal/mol:	-103.8
Dipole, Da:	5.26
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.[Na+]

DOS

IR

Vibrations