Geometry & MOs

Info

ID:

81587

PubChem CID:

49854892

Reduced:

NI3O10H28C38 (1)

Stoich.:

AB3C10D28E38 (1)

Weight, g/mol:

1164.7814

ΔHf, kcal/mol:

-217.7

Dipole, Da:

13.55

IP(EA), eV:

 -9.06(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O

DOS

IR

Vibrations