Geometry & MOs

Info

ID:

380976

PubChem CID:

134971592

Reduced:

SiO6C30H33 (2)

Stoich.:

AB6C30D33 (2)

Weight, g/mol:

1034.409281

ΔHf, kcal/mol:

-469.1

Dipole, Da:

4.3

IP(EA), eV:

 -8.64(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)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)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations