Geometry & MOs

Info

ID:

222155

PubChem CID:

85294763

Reduced:

Si2S4O7C58H106 (1)

Stoich.:

A2B4C7D58E106 (1)

Weight, g/mol:

1130.680676

ΔHf, kcal/mol:

-500.07

Dipole, Da:

1.95

IP(EA), eV:

 -8.24(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17,45-dihydroxy-10,18,23,39,44,52-hexamethyl-3,6,56,59-tetraoxa-27,35-diazaundecacyclo[59.2.2.17,11.129,33.151,55.010,15.014,19.018,22.040,44.043,48.047,52]octahexaconta-1(64),29(67),30,32,61(65),62-hexaene-2,5,26,36,57,60-hexone

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1CCC(CC1OC)CC(C)C(CC2(SCCCS2)C(C)C=C(C)C(CC3(SCCCS3)C(C)CC(C)C(OC)OC)O[Si](C)(C)C(C)(C)C)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations