Geometry & MOs

Info

ID:	272519
PubChem CID:	103744399
Reduced:	OSF3N4H9C12 (1)
Stoich.:	ABC3D4E9F12 (1)
Weight, g/mol:	291.096754
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	5.53
IP(EA), eV:	-9.38(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-nitro-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)NCCC3=NC=NO3

DOS

IR

Vibrations