Geometry & MOs

Info

ID:

17523

PubChem CID:

503035

Reduced:

AgN4S4O12H28C44 (1)

Stoich.:

AB4C4D12E28F44 (1)

Weight, g/mol:

1038.96375

ΔHf, kcal/mol:

-302.03

Dipole, Da:

6.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.541240

Charge, e:

 -1

Chem-info

IUPAC name:

silver;4-[10,15,20-tris(4-sulfophenyl)porphyrin-22,23-diid-5-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)[N-]3)S(=O)(=O)O.[Ag+]

DOS

IR

Vibrations