Geometry & MOs

Info

ID:

15671

PubChem CID:

447114

Reduced:

FeN4O5C35H36 (1)

Stoich.:

AB4C5D35E36 (1)

Weight, g/mol:

648.203506

ΔHf, kcal/mol:

-105.2

Dipole, Da:

12.28

IP(EA), eV:

 -7.52(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

carbon monoxide;3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-5,6-dihydroporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron

Drug info:

PubChemData

Smile

CCC1=C2C=C3C(=C(C([N-]3)CC4=C(C(=C([N-]4)C=C5C(=C(C(=CC(=C1C)[N-]2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C=C)C.[C-]#[O+].[Fe]

DOS

IR

Vibrations