Geometry & MOs

Info

ID:	236396
PubChem CID:	92712693
Reduced:	Cl2N3O4H11C16 (1)
Stoich.:	A2B3C4D11E16 (1)
Weight, g/mol:	379.012661
ΔH_f, kcal/mol:	-16.2
Dipole, Da:	4.93
IP(EA), eV:	-9.26(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(2,6-dichlorophenyl)-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=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations