Geometry & MOs

Info

ID:	137249
PubChem CID:	52176840
Reduced:	FS2N3O3C22H22 (1)
Stoich.:	AB2C3D3E22F22 (1)
Weight, g/mol:	386.142856
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	5.37
IP(EA), eV:	-9.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,6-difluorophenyl)-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=NN=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations