Geometry & MOs

Info

ID:	142981
PubChem CID:	53126427
Reduced:	S2N4O4C21H22 (1)
Stoich.:	A2B4C4D21E22 (1)
Weight, g/mol:	431.175753
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	3.91
IP(EA), eV:	-9.26(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NS(=O)(=O)C3=CC(=CS3)C4=NOC(=N4)C(=O)N5CCCC5

DOS

IR

Vibrations