Geometry & MOs

Info

ID:

85311

PubChem CID:

49873698

Reduced:

PO20H61C73 (1)

Stoich.:

AB20C61D73 (1)

Weight, g/mol:

884.361921

ΔHf, kcal/mol:

-657.59

Dipole, Da:

9.59

IP(EA), eV:

 -8.91(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2OC(=O)C3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)COP(=O)(OC9=CC=CC=C9)OC1=CC=CC=C1)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations