Geometry & MOs

Info

ID:

82090

PubChem CID:

49855585

Reduced:

O5H16C20 (2)

Stoich.:

A5B16C20 (2)

Weight, g/mol:

700.230847

ΔHf, kcal/mol:

-277.73

Dipole, Da:

3.98

IP(EA), eV:

 -9.1(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations