Geometry & MOs

Info

ID:	236354
PubChem CID:	92712504
Reduced:	SN3O4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	335.030898
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	5.2
IP(EA), eV:	-8.64(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-(3-chlorophenyl)-2-(5-nitrofuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations