Geometry & MOs

Info

ID:

47206

PubChem CID:

10530632

Reduced:

O2C11H18 (3)

Stoich.:

A2B11C18 (3)

Weight, g/mol:

546.352922

ΔHf, kcal/mol:

-340.32

Dipole, Da:

1.43

IP(EA), eV:

 -9.72(1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4aR,5aR,7S,8aS,8bR)-1-[(E)-hept-1-enyl]-3,3-dimethyl-4a,5,5a,6,7,8,8a,8b-octahydro-1H-pentaleno[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-diphenylsilane

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4(C5[C@@]3(C[C@@H]6[C@H](C5)OC(O6)(C)C)C)OCCO4)C)[C@H]([C@@H]([C@@H](C)C(=C)C)O)O

DOS

IR

Vibrations