Geometry & MOs

Info

ID:	27555
PubChem CID:	822096
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	2.08
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,9bS)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/C2=CC(=CC=C2)OC

DOS

IR

Vibrations