Geometry & MOs

Info

ID:

7542

PubChem CID:

73280

Reduced:

O10C41H70 (1)

Stoich.:

A10B41C70 (1)

Weight, g/mol:

722.496898

ΔHf, kcal/mol:

-558.73

Dipole, Da:

1.05

IP(EA), eV:

 -9.38(0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[(2R,3S,6R)-6-[[(2S,4R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]butan-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)C)C[C@@H]2C[C@H]([C@H](C3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@@H]([C@@](O6)(CO)O)C)C)C)C)C)OC

DOS

IR

Vibrations