Geometry & MOs

Info

ID:	40342
PubChem CID:	8143963
Reduced:	FSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	415.1604
ΔH_f, kcal/mol:	-15.82
Dipole, Da:	2.98
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(1S)-1-(2-fluorophenoxy)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C[C@H](C1=NN(C(=S)O1)CN2CCN(CC2)C3=CC=CC=C3)OC4=CC=C(C=C4)F

DOS

IR

Vibrations