Geometry & MOs

Info

ID:

956

PubChem CID:

3581

Reduced:

FeN4O10H32C34 (1)

Stoich.:

AB4C10D32E34 (1)

Weight, g/mol:

712.146779

ΔHf, kcal/mol:

-170.01

Dipole, Da:

7.9

IP(EA), eV:

 -7.34(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-8,13-bis(carboxymethyl)-3,8,13,17-tetramethyl-7,12-dioxoporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(C(=O)C(=N4)C=C5C(C(=O)C(=N5)C=C1[N-]2)(C)CC(=O)O)(C)CC(=O)O)C)CCC(=O)O)CCC(=O)O.[Fe+2]

DOS

IR

Vibrations