Geometry & MOs

Info

ID:	236437
PubChem CID:	92712968
Reduced:	ClN4O5H17C23 (1)
Stoich.:	AB4C5D17E23 (1)
Weight, g/mol:	460.078577
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	8.41
IP(EA), eV:	-9.21(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-2-(4-acetamidophenyl)-3-acetyl-2H-1,3,4-oxadiazol-5-yl]-4-chloro-6-nitrophenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations