Geometry & MOs

Info

ID:

396523

PubChem CID:

135028622

Reduced:

SF3O8C22H23 (1)

Stoich.:

AB3C8D22E23 (1)

Weight, g/mol:

374.152952

ΔHf, kcal/mol:

-420.95

Dipole, Da:

3.2

IP(EA), eV:

 -9.39(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations