Geometry & MOs

Info

ID:

81919

PubChem CID:

49855352

Reduced:

SiO5C25H42 (1)

Stoich.:

AB5C25D42 (1)

Weight, g/mol:

554.306366

ΔHf, kcal/mol:

-276.56

Dipole, Da:

3.45

IP(EA), eV:

-8.73(0.13)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,3R,5S)-2-[(1S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-methylbutyl]-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol

Drug info:

PubChemData

Smile

C[C@H](C=C)[C@H](C)[C@H]([C@H]([C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)OCC1=CC=C(C=C1)OC

DOS

IR

Vibrations