Geometry & MOs

Info

ID:	236418
PubChem CID:	92712787
Reduced:	BrClN3O4H11C16 (1)
Stoich.:	ABC3D4E11F16 (1)
Weight, g/mol:	359.067284
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	5.15
IP(EA), eV:	-9.48(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-(4-chloro-3-nitrophenyl)-2-(3-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)Br

DOS

IR

Vibrations