Geometry & MOs

Info

ID:	381434
PubChem CID:	134972165
Reduced:	SO3H8C13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	3.96
IP(EA), eV:	-8.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)O/C(=C\C3=CC=CS3)/C(=O)O2

DOS

IR

Vibrations