Geometry & MOs

Info

ID:

51361

PubChem CID:

12014016

Reduced:

FePO12H51C52 (1)

Stoich.:

ABC12D51E52 (1)

Weight, g/mol:

576.199547

ΔHf, kcal/mol:

-132.35

Dipole, Da:

5.69

IP(EA), eV:

 -6.86(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(30E,32E)-2,5,8,15,18,21,28,35-octaoxatetracyclo[34.4.0.09,14.022,27]tetraconta-1(40),9,11,13,22,24,26,30,32,36,38-undecaene-29,34-dione

Drug info:

PubChemData

Smile

C=O.C=O.C1OCCOC2=CC=CC=C2OC(=O)/C=C/C=C/C(=O)OC3=CC=CC=C3OCCOCCOC4=CC=CC=C4OC1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

DOS

IR

Vibrations