Geometry & MOs

Info

ID:	236438
PubChem CID:	92712969
Reduced:	ClN4O7H17C20 (1)
Stoich.:	AB4C7D17E20 (1)
Weight, g/mol:	460.078577
ΔH_f, kcal/mol:	-142.64
Dipole, Da:	13.26
IP(EA), eV:	-9.26(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)[C@H]2N(N=C(O2)C3=C(C(=CC(=C3)Cl)[N+](=O)[O-])OC(=O)C)C(=O)C

DOS

IR

Vibrations