Geometry & MOs

Info

ID:

47207

PubChem CID:

10530636

Reduced:

SiO3C35H50 (1)

Stoich.:

AB3C35D50 (1)

Weight, g/mol:

546.340807

ΔHf, kcal/mol:

-187.92

Dipole, Da:

1.23

IP(EA), eV:

 -8.99(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aR,5R,6S,8S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-2,2,5-trimethyl-4a,6,7,8-tetrahydro-4H-benzo[d][1,3]dioxin-8a-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCC/C=C/[C@H]1[C@@H]2[C@H]3C[C@H](C[C@H]3C[C@H]2OC(O1)(C)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations