Geometry & MOs

Info

ID:

313134

PubChem CID:

126612133

Reduced:

SO9C55H60 (1)

Stoich.:

AB9C55D60 (1)

Weight, g/mol:

676.324748

ΔHf, kcal/mol:

-222.73

Dipole, Da:

7.1

IP(EA), eV:

 -8.81(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,5R,6S,6aR)-6-[(2S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)CS[C@H]2CC([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations