Geometry & MOs

Info

ID:

7147

PubChem CID:

71371

Reduced:

N2Na2I7O8H21C30 (1)

Stoich.:

A2B2C7D8E21F30 (1)

Weight, g/mol:

1471.4406

ΔHf, kcal/mol:

-69.77

Dipole, Da:

380.29

IP(EA), eV:

 -5.39(-4.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;(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.C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)[O-])N.[Na+].[Na+]

DOS

IR

Vibrations