Geometry & MOs

Info

ID:

231844

PubChem CID:

87574764

Reduced:

SiO4C15H28 (1)

Stoich.:

AB4C15D28 (1)

Weight, g/mol:

1153.315561

ΔHf, kcal/mol:

-255.52

Dipole, Da:

5.81

IP(EA), eV:

-9.66(-0.18)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[2-isothiocyanato-3-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]propoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCC[Si](C)(CCCC)OC(=O)C/C=C(\C)/C(=O)O

DOS

IR

Vibrations