Geometry & MOs

Info

ID:	41080
PubChem CID:	8145219
Reduced:	FSO2N4C21H24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	414.152575
ΔH_f, kcal/mol:	1.45
Dipole, Da:	8.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.802550
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations