Geometry & MOs

Info

ID:	236394
PubChem CID:	92712687
Reduced:	Cl2N3O4H13C17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	437.018141
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	2.35
IP(EA), eV:	-9.58(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R)-3-acetyl-5-(3-nitrophenyl)-2H-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations