Geometry & MOs

Info

ID:

16529

PubChem CID:

472084

Reduced:

AgN4O4H32C34 (1)

Stoich.:

AB4C4D32E34 (1)

Weight, g/mol:

667.14745

ΔHf, kcal/mol:

-14.04

Dipole, Da:

5.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 4.062608

Charge, e:

 -2

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;silver

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Ag]

DOS

IR

Vibrations