Geometry & MOs

Info

ID:

380169

PubChem CID:

134970518

Reduced:

O13C68H76 (1)

Stoich.:

A13B68C76 (1)

Weight, g/mol:

739.077879

ΔHf, kcal/mol:

-476.25

Dipole, Da:

3.7

IP(EA), eV:

 -9.32(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6S)-3,4,5-tribenzoyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C[C@H]1C2C(CC3[C@@]2(CCC4C3CCC5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6C(C([C@H](C(O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C2=CC=CC=C2)OCC2=CC=CC=C2)C)C)O[C@]11CCC(CO1)C

DOS

IR

Vibrations