Geometry & MOs

Info

ID:

214841

PubChem CID:

85083729

Reduced:

O2C9H15 (4)

Stoich.:

A2B9C15 (4)

Weight, g/mol:

620.335558

ΔHf, kcal/mol:

-431.28

Dipole, Da:

6.65

IP(EA), eV:

 -9.04(1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-(benzenesulfinyl)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,4-dien-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl] benzoate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CC(CC3C2(CCC4(C3=CCC5C4(CCC6C5(CCC(C6(C)CO)O)C)C)C)C)(C)CO)O)O)O

DOS

IR

Vibrations