Geometry & MOs

Info

ID:	40401
PubChem CID:	8144050
Reduced:	SN6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	387.104635
ΔH_f, kcal/mol:	102.18
Dipole, Da:	3.49
IP(EA), eV:	-8.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NN(C(=S)N12)CN3CCN(CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations