Geometry & MOs

Info

ID:

7569

PubChem CID:

73430

Reduced:

O2C5H8 (7)

Stoich.:

A2B5C8 (7)

Weight, g/mol:

700.367006

ΔHf, kcal/mol:

-588.57

Dipole, Da:

3.0

IP(EA), eV:

 -9.81(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3R,8S,9R,10S,12S,16S)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C[C@](C(=O)C=C[C@H]3[C@@H](O3)[C@@H]([C@H](OC(=O)C=C[C@@H]2C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)(C)O)C)O)OC

DOS

IR

Vibrations