Geometry & MOs

Info

ID:	41413
PubChem CID:	8145837
Reduced:	ClOSN6H13C17 (1)
Stoich.:	ABCD6E13F17 (1)
Weight, g/mol:	341.066142
ΔH_f, kcal/mol:	100.0
Dipole, Da:	3.44
IP(EA), eV:	-9.31(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=NN3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations