Geometry & MOs

Info

ID:

82636

PubChem CID:

49856269

Reduced:

S2N3O8H15C21 (1)

Stoich.:

A2B3C8D15E21 (1)

Weight, g/mol:

1034.8275

ΔHf, kcal/mol:

-82.56

Dipole, Da:

7.63

IP(EA), eV:

 -9.94(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2E)-1,1-diphenyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC1C2C(=C(C(=O)N2C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])O)C(=O)C5=CC=CO5

DOS

IR

Vibrations