Geometry & MOs

Info

ID:

380793

PubChem CID:

134971354

Reduced:

SiO12C39H54 (1)

Stoich.:

AB12C39D54 (1)

Weight, g/mol:

742.338454

ΔHf, kcal/mol:

-508.05

Dipole, Da:

1.94

IP(EA), eV:

 -9.46(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R,6S)-3-benzoyloxy-6-[(3R,4R,6R)-4-methoxy-2-methyl-6-[[(3R,4R)-2-methyl-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-2-methyloxan-4-yl] benzoate

Drug info:

PubChemData

Smile

CC1[C@H]([C@@H](C[C@H](O1)O[C@@H]2C(OC=CC2OCOCC[Si](C)(C)C)C)OC)O[C@H]3C[C@H]([C@@H](C(O3)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations