Geometry & MOs

Info

ID:

953

PubChem CID:

3577

Reduced:

FeN4O6C49H56 (1)

Stoich.:

AB4C6D49E56 (1)

Weight, g/mol:

852.354921

ΔHf, kcal/mol:

-151.73

Dipole, Da:

12.17

IP(EA), eV:

 -8.25(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl)-3,8,13-trimethylporphyrin-22,24-diid-2-yl]propanoic acid;iron(2+)

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(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)C=O)CCC(=O)O)C(=C3C)CCC(=O)O)C=C.[Fe+2]

DOS

IR

Vibrations