Geometry & MOs

Info

ID:

15687

PubChem CID:

447374

Reduced:

FeN4O5H34C35 (1)

Stoich.:

AB4C5D34E35 (1)

Weight, g/mol:

646.187856

ΔHf, kcal/mol:

-93.69

Dipole, Da:

10.61

IP(EA), eV:

 -8.04(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

carbon monoxide;3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(3+)

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C.[C-]#[O+].[Fe+3]

DOS

IR

Vibrations