Geometry & MOs

Info

ID:

125002

PubChem CID:

50907133

Reduced:

O5C17H24 (2)

Stoich.:

A5B17C24 (2)

Weight, g/mol:

463.210515

ΔHf, kcal/mol:

-346.79

Dipole, Da:

4.35

IP(EA), eV:

 -9.61(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4aR,6S,7R,8S,8aR)-2-deuterio-6-methoxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CCCCC/C=C/C=C\C(=O)O[C@@H]1C[C@H]2[C@]([C@@H](C[C@@H]([C@]23[C@@H](O[C@@H](C3=C1)OC(=O)C)OC(=O)C)O)C)(C)C[C@H](C(=C)C=C)OO

DOS

IR

Vibrations