Geometry & MOs

Info

ID:	397643
PubChem CID:	135030510
Reduced:	SO2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	3.37
IP(EA), eV:	-8.46(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3,3-dimethyl-6-[(1R,5S)-5-methyl-3-oxabicyclo[3.1.0]hexan-1-yl]-2,4-dioxatricyclo[5.4.0.01,5]undeca-6,8-diene

Drug info:

PubChemData

Smile

C[C@]12C[C@]1(CSC2)C3=C4C=CCC[C@]45[C@H]3OC(O5)(C)C

DOS

IR

Vibrations