Geometry & MOs

Info

ID:

80774

PubChem CID:

49836678

Reduced:

O11C19H34 (1)

Stoich.:

A11B19C34 (1)

Weight, g/mol:

436.230847

ΔHf, kcal/mol:

-449.02

Dipole, Da:

1.29

IP(EA), eV:

-9.34(1.12)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1R,3R,4S,5R,6S,8S,11R,12S,13R,14R)-4,5,6,12,13,14-hexamethoxy-11-(methoxymethyl)-7,10,15-trioxatricyclo[9.3.1.03,8]pentadecane

Drug info:

PubChemData

Smile

COC[C@]12[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]3[C@@H](CO2)O[C@@H]([C@@H]([C@H]3OC)OC)OC)OC)OC)OC

DOS

IR

Vibrations