Geometry & MOs

Info

ID:	346529
PubChem CID:	127271033
Reduced:	FSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	397.126026
ΔH_f, kcal/mol:	6.4
Dipole, Da:	6.69
IP(EA), eV:	-9.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CSC(=N2)C3CC3)C4=NC(=NO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations