Geometry & MOs

Info

ID:

9001

PubChem CID:

84886

Reduced:

SO5C14H15 (2)

Stoich.:

AB5C14D15 (2)

Weight, g/mol:

590.12804

ΔHf, kcal/mol:

-339.91

Dipole, Da:

6.45

IP(EA), eV:

 -9.67(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aR,6S,7R,8S,8aS)-6-methoxy-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@@H]3[C@@H](COC(O3)C4=CC=CC=C4)O[C@@H]([C@@H]2OS(=O)(=O)C5=CC=C(C=C5)C)OC

DOS

IR

Vibrations