Geometry & MOs

Info

ID:

7181

PubChem CID:

71484

Reduced:

NaN2O2H16C17 (2)

Stoich.:

AB2C2D16E17 (2)

Weight, g/mol:

606.221894

ΔHf, kcal/mol:

-159.63

Dipole, Da:

4.87

IP(EA), eV:

 -8.57(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])C=C.[Na+].[Na+]

DOS

IR

Vibrations