Geometry & MOs

Info

ID:	41308
PubChem CID:	8145638
Reduced:	FSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	384.142011
ΔH_f, kcal/mol:	51.17
Dipole, Da:	5.35
IP(EA), eV:	-8.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations