Geometry & MOs

Info

ID:	383485
PubChem CID:	134975230
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	273.103479
ΔH_f, kcal/mol:	-91.57
Dipole, Da:	6.28
IP(EA), eV:	-10.39(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(dimethylamino)-4-methyl-2-oxo-3-oxa-9-thiabicyclo[6.1.0]nonan-6-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCCCC/C=C\C(=O)O1

DOS

IR

Vibrations