Geometry & MOs

Info

ID:

955

PubChem CID:

3579

Reduced:

FeN4O4C34H34 (1)

Stoich.:

AB4C4D34E34 (1)

Weight, g/mol:

618.192941

ΔHf, kcal/mol:

-30.5

Dipole, Da:

14.21

IP(EA), eV:

 -7.3(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-8,13-di(ethylidene)-3,7,12,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron

Drug info:

PubChemData

Smile

CC=C1C(=C2C=C3C(=CC)C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)C=C1[N-]2)C)CCC(=O)O)[N-]4)CCC(=O)O)C)C)C.[Fe]

DOS

IR

Vibrations