Geometry & MOs

Info

ID:	236447
PubChem CID:	92713029
Reduced:	ClN4O6H13C17 (1)
Stoich.:	AB4C6D13E17 (1)
Weight, g/mol:	325.106256
ΔH_f, kcal/mol:	-81.71
Dipole, Da:	1.41
IP(EA), eV:	-9.51(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations