Geometry & MOs

Info

ID:	236401
PubChem CID:	92712743
Reduced:	ClN4O4H11C15 (1)
Stoich.:	AB4C4D11E15 (1)
Weight, g/mol:	346.046882
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	3.37
IP(EA), eV:	-9.51(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations