Geometry & MOs

Info

ID:	129342
PubChem CID:	51072326
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	205.067369
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	4.0
IP(EA), eV:	-8.9(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylphenyl)-3-methylsulfanyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSCC(=O)NC(C)COC

DOS

IR

Vibrations