Geometry & MOs

Info

ID:	303788
PubChem CID:	124490177
Reduced:	SO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	8.05
IP(EA), eV:	-9.54(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S,8R,9R,11S)-2,6,6,9-tetramethyl-12-oxatetracyclo[6.3.1.01,8.02,4]dodecan-11-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCC=C2[C@@]13C=C[C@H]2[C@@H]([C@@H]3S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations