Geometry & MOs

Info

ID:

127938

PubChem CID:

51024070

Reduced:

O9C32H42 (1)

Stoich.:

A9B32C42 (1)

Weight, g/mol:

282.146724

ΔHf, kcal/mol:

-365.73

Dipole, Da:

3.17

IP(EA), eV:

 -9.21(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,3R,4S,6R,7S,8S,11S,12S,13S)-8-(hydroxymethyl)-15,16-dioxapentacyclo[10.2.1.14,7.02,11.03,8]hexadecane-6,13-diol

Drug info:

PubChemData

Smile

CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@]5([C@@H](C[C@H]([C@@]6(C5C4OC6)C)OC(=O)C)OC(=O)C)C)CCOC(=O)C)C

DOS

IR

Vibrations