Geometry & MOs

Info

ID:

141921

PubChem CID:

52952749

Reduced:

O17C29H32 (1)

Stoich.:

A17B29C32 (1)

Weight, g/mol:

1030.259032

ΔHf, kcal/mol:

-676.06

Dipole, Da:

4.65

IP(EA), eV:

 -9.06(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxo-7-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxychromen-3-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)C)C5=CC(=C(C=C5)O)O)O)O)O)O

DOS

IR

Vibrations