Geometry & MOs

Info

ID:	236417
PubChem CID:	92712786
Reduced:	BrClN3O4H11C16 (1)
Stoich.:	ABC3D4E11F16 (1)
Weight, g/mol:	422.96215
ΔH_f, kcal/mol:	-5.98
Dipole, Da:	5.46
IP(EA), eV:	-9.49(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations