Geometry & MOs

Info

ID:

127943

PubChem CID:

51024075

Reduced:

SiO2H36C44 (1)

Stoich.:

AB2C36D44 (1)

Weight, g/mol:

548.27833

ΔHf, kcal/mol:

120.09

Dipole, Da:

0.94

IP(EA), eV:

 -8.55(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5'R,9S,13S,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[Si]1([C@]2([C@@H]3[C@H]([C@]1(C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)[C@H]7C8=C([C@@H]3O7)C=C9[C@H]1C=C[C@@H](C9=C8)O1)C1=CC=CC=C1)C

DOS

IR

Vibrations