Geometry & MOs

Info

ID:

11403

PubChem CID:

115045

Reduced:

O3C10H16 (2)

Stoich.:

A3B10C16 (2)

Weight, g/mol:

368.219889

ΔHf, kcal/mol:

-195.58

Dipole, Da:

3.22

IP(EA), eV:

 -8.91(1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,4R,6R,8S,9S,10R,11R,15R)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecane-3,4,10,15,17-pentol

Drug info:

PubChemData

Smile

C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H]([C@H]5[C@@H](C4(C)C)O5)[C@]([C@@H]2CCC1C3O)(C)O)O)O)O

DOS

IR

Vibrations