Geometry & MOs

Info

ID:

382636

PubChem CID:

134973908

Reduced:

Si2O13C51H86 (1)

Stoich.:

A2B13C51D86 (1)

Weight, g/mol:

452.169116

ΔHf, kcal/mol:

-609.84

Dipole, Da:

0.96

IP(EA), eV:

 -8.81(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-ethenyl-8-hydroxy-4-[2-[(2R,4S)-5-hydroxy-4-methylhept-6-en-2-yl]-1,3-dithiolan-2-yl]-11-methyl-2,6-dioxatricyclo[5.2.2.01,5]undec-4-en-3-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]([C@@H]([C@@H]2[C@@H]1[C@]([C@@H](C=C2)/C(=C/CO[Si](C)(C)C(C)(C)C)/C)(C)C(=O)C3=C([C@@]4(CC(=C[C@@H]([C@H]4/C=C(\C)/COCOCC[Si](C)(C)C)OCOC)C(OC)OC)OC3=O)OC)OCOC)C

DOS

IR

Vibrations