Geometry & MOs

Info

ID:	236353
PubChem CID:	92712495
Reduced:	BrN3O4H12C16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	357.078327
ΔH_f, kcal/mol:	1.19
Dipole, Da:	5.97
IP(EA), eV:	-9.24(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(4-methylsulfanylphenyl)-5-(3-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)Br)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations