Geometry & MOs

Info

ID:

82091

PubChem CID:

49855586

Reduced:

O5H18C21 (2)

Stoich.:

A5B18C21 (2)

Weight, g/mol:

714.246497

ΔHf, kcal/mol:

-280.72

Dipole, Da:

4.68

IP(EA), eV:

 -8.93(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](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

DOS

IR

Vibrations