Geometry & MOs

Info

ID:	325798
PubChem CID:	126685013
Reduced:	OS2H6C7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	278.260966
ΔH_f, kcal/mol:	0.37
Dipole, Da:	2.86
IP(EA), eV:	-9.46(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S,12R)-6,13,16,16-tetramethyl-5-oxatricyclo[10.3.1.03,9]hexadecane

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)SS

DOS

IR

Vibrations