Geometry & MOs

Info

ID:	86478
PubChem CID:	49886018
Reduced:	Cl2S2N3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	403.11769
ΔH_f, kcal/mol:	80.47
Dipole, Da:	6.43
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzhydrylsulfanyl-4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)CSC3=CC=CC=C3

DOS

IR

Vibrations