Geometry & MOs

Info

ID:

410297

PubChem CID:

135083088

Reduced:

OC5H9 (2)

Stoich.:

AB5C9 (2)

Weight, g/mol:

855.933978

ΔHf, kcal/mol:

-119.29

Dipole, Da:

3.44

IP(EA), eV:

-9.54(0.73)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;iron(2+)

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C(=O)C(C[C@@H]1O)(C)C)C

DOS

IR

Vibrations