Geometry & MOs

Info

ID:	143260
PubChem CID:	53175714
Reduced:	FSN4O4C21H23 (1)
Stoich.:	ABC4D4E21F23 (1)
Weight, g/mol:	392.095454
ΔH_f, kcal/mol:	-92.37
Dipole, Da:	3.55
IP(EA), eV:	-8.42(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NN=C(O2)C3=CC=C(O3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations