Geometry & MOs

Info

ID:

51360

PubChem CID:

12014014

Reduced:

FeO15C39H46 (1)

Stoich.:

AB15C39D46 (1)

Weight, g/mol:

954.24675

ΔHf, kcal/mol:

-400.57

Dipole, Da:

17.99

IP(EA), eV:

 -7.28(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

formaldehyde;iron;(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;triphenylphosphane

Drug info:

PubChemData

Smile

C=O.C=O.C=O.C1OCCOC2=CC=CC=C2OCCOCCOCCOC3=CC=CC=C3OC(=O)/C=C/C=C/C(=O)OC4=CC=CC=C4OCCOC1.[Fe]

DOS

IR

Vibrations