Geometry & MOs

Info

ID:	236361
PubChem CID:	92712535
Reduced:	SN3O4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	357.078327
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	7.26
IP(EA), eV:	-8.47(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(4-methylsulfanylphenyl)-5-(2-nitrophenyl)-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