Geometry & MOs

Info

ID:

46882

PubChem CID:

10528108

Reduced:

O9C24H32 (1)

Stoich.:

A9B24C32 (1)

Weight, g/mol:

464.183503

ΔHf, kcal/mol:

-360.17

Dipole, Da:

6.35

IP(EA), eV:

 -10.16(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4aR,6S,7R,8R,8aR)-6-(4-methoxyphenoxy)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C=C[C@]2([C@H]1[C@@H]([C@@]34[C@H](/C=C(\C[C@@H]([C@@H]2OC(=O)C)OC(=O)C)/C)OC(=O)[C@@]3(O4)C)O)C)O

DOS

IR

Vibrations