Geometry & MOs

Info

ID:

176270

PubChem CID:

76021510

Reduced:

FeN4O5H32C34 (1)

Stoich.:

AB4C5D32E34 (1)

Weight, g/mol:

578.25292

ΔHf, kcal/mol:

1.93

Dipole, Da:

5.39

IP(EA), eV:

 -8.33(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5'-oxospiro[22,23-dihydroporphyrin-18,2'-oxolane]-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)C)C=C)C(=C4C=C)C)C(C36CCC(=O)O6)(C)O)CCC(=O)O.[Fe]

DOS

IR

Vibrations