Geometry & MOs

Info

ID:	29967
PubChem CID:	838612
Reduced:	ClOSN4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	285.016117
ΔH_f, kcal/mol:	20.25
Dipole, Da:	6.89
IP(EA), eV:	-8.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methylsulfanylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CN1C(=NNC1=S)CNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations