Geometry & MOs

Info

ID:

384881

PubChem CID:

134977854

Reduced:

OC5H5 (4)

Stoich.:

AB5C5 (4)

Weight, g/mol:

696.336116

ΔHf, kcal/mol:

96.64

Dipole, Da:

10.4

IP(EA), eV:

 -8.24(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[(E,3R)-3-acetyloxy-10-hydroxydec-8-en-4,6-diynoxy]-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1(COC2(C#CC#CC3(C#CC#C2)OCC(CO3)(C)C)OC1)C

DOS

IR

Vibrations