Geometry & MOs

Info

ID:	308438
PubChem CID:	125333074
Reduced:	BrN2O3H5C6 (1)
Stoich.:	AB2C3D5E6 (1)
Weight, g/mol:	231.94835
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	3.36
IP(EA), eV:	-10.02(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2R)-2-bromo-2,3-dihydrofuran-5-yl]-2H-1,3,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

C1C=C(O[C@@H]1Br)[C@@H]2N=NC(=O)O2

DOS

IR

Vibrations