Geometry & MOs

Info

ID:

380977

PubChem CID:

134971593

Reduced:

SiO6C30H33 (2)

Stoich.:

AB6C30D33 (2)

Weight, g/mol:

1498.480486

ΔHf, kcal/mol:

-475.75

Dipole, Da:

3.22

IP(EA), eV:

 -8.69(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-tribenzoyloxy-6-[4-[(E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(2S,5S)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O[Si](C)(C)C(C)(C)C)O[C@H]3C(C([C@H](C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

DOS

IR

Vibrations