Geometry & MOs

Info

ID:

380978

PubChem CID:

134971594

Reduced:

SiO21H78C88 (1)

Stoich.:

AB21C78D88 (1)

Weight, g/mol:

1174.32593

ΔHf, kcal/mol:

-658.15

Dipole, Da:

6.03

IP(EA), eV:

 -8.69(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-tribenzoyloxy-6-[(2S,5R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC(=CC(=C1)O[C@H]2C(C([C@H](C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)/C=C/C7=CC=C(C=C7)O[C@H]8C(C([C@@H](C(O8)COC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations