Geometry & MOs

Info

ID:

388559

PubChem CID:

134989508

Reduced:

PdO4Si4N8C56H72 (1)

Stoich.:

AB4C4D8E56F72 (1)

Weight, g/mol:

1354.583303

ΔHf, kcal/mol:

282.53

Dipole, Da:

18.19

IP(EA), eV:

 -6.46(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,14,26,35-tetrakis[4-(2-phenylpropan-2-yl)phenoxy]-2,11,20,29,37,38,39,40-octazanonacyclo[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

Drug info:

PubChemData

Smile

C[Si](C)(C)CCCOC1=CC=CC2=C1C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C=CC=C8OCCC[Si](C)(C)C)C(=N7)N=C2[N-]3)C=CC=C6OCCC[Si](C)(C)C)C9=C4C=CC=C9OCCC[Si](C)(C)C.[Pd+2]

DOS

IR

Vibrations