Geometry & MOs

Info

ID:

81586

PubChem CID:

49854891

Reduced:

FeNa2O3H4C5N6 (1)

Stoich.:

AB2C3D4E5F6 (1)

Weight, g/mol:

1038.8847

ΔHf, kcal/mol:

-146.9

Dipole, Da:

2.8

IP(EA), eV:

 -8.07(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[O+].O.O.[Na+].[Na+].[Fe+3]

DOS

IR

Vibrations