Geometry & MOs

Info

ID:	40336
PubChem CID:	8143955
Reduced:	FSO2N4C21H24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	414.152575
ΔH_f, kcal/mol:	-0.85
Dipole, Da:	5.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.847376
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NN(C(=S)O1)C[NH+]2CCN(CC2)C3=CC=CC=C3)OC4=CC=C(C=C4)F

DOS

IR

Vibrations