Geometry & MOs

Info

ID:

15673

PubChem CID:

447119

Reduced:

FeN4O4C34H40 (1)

Stoich.:

AB4C4D34E40 (1)

Weight, g/mol:

624.239891

ΔHf, kcal/mol:

64.99

Dipole, Da:

4.27

IP(EA), eV:

 -7.35(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

17-[2-(dioxiran-3-yl)ethyl]-7-ethenyl-2-ethyl-13-(3-hydroperoxypropyl)-3,8,18-trimethyl-1,20-dihydroporphyrin-21,22,23,24-tetraide;iron;methane

Drug info:

PubChemData

Smile

C.CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C=C(C(=CC5=C(C(=C([N-]5)CC1[N-]2)C)CCC6OO6)[N-]4)CCCOO)C)C=C)C.[Fe]

DOS

IR

Vibrations