Geometry & MOs

Info

ID:	40550
PubChem CID:	8144314
Reduced:	FSN3O3C15H19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	339.105291
ΔH_f, kcal/mol:	-70.48
Dipole, Da:	5.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791784
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-1-(4-fluorophenoxy)ethyl]-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C[C@H](C1=NN(C(=S)O1)C[NH+]2CCOCC2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations