Geometry & MOs

Info

ID:	86470
PubChem CID:	49885956
Reduced:	S2O3N4H20C26 (1)
Stoich.:	A2B3C4D20E26 (1)
Weight, g/mol:	341.10204
ΔH_f, kcal/mol:	21.17
Dipole, Da:	10.27
IP(EA), eV:	-9.12(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-(phenylsulfanylmethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)CSC5=CC=CC=C5

DOS

IR

Vibrations