Geometry & MOs

Info

ID:	402709
PubChem CID:	135056976
Reduced:	BrO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	209.068808
ΔH_f, kcal/mol:	-108.49
Dipole, Da:	2.19
IP(EA), eV:	-9.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CC(=O)CO)O)Br

DOS

IR

Vibrations