Geometry & MOs

Info

ID:	41404
PubChem CID:	8145819
Reduced:	ClSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	401.120285
ΔH_f, kcal/mol:	89.51
Dipole, Da:	6.66
IP(EA), eV:	-8.38(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-benzyl-3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations