Geometry & MOs

Info

ID:

391578

PubChem CID:

135006652

Reduced:

OCl3C6H9 (1)

Stoich.:

AB3C6D9 (1)

Weight, g/mol:

788.395575

ΔHf, kcal/mol:

-66.52

Dipole, Da:

1.32

IP(EA), eV:

-10.52(-0.54)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4aR,6S,7R,8aS)-2-[2-[(2R,4aR,6S,7R,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]ethyl]-7-phenylmethoxy-6-(phenylmethoxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-3-one

Drug info:

PubChemData

Smile

C[C@@H](C=C)[C@H](C(Cl)(Cl)Cl)O

DOS

IR

Vibrations