Geometry & MOs

Info

ID:	121240
PubChem CID:	50759780
Reduced:	ClFSN3O3H15C18 (1)
Stoich.:	ABCD3E3F15G18 (1)
Weight, g/mol:	351.080826
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	6.26
IP(EA), eV:	-8.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CSCC2=NC(=NO2)C3=CC(=CC=C3)F)Cl

DOS

IR

Vibrations