Geometry & MOs

Info

ID:	346243
PubChem CID:	127270747
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	278.131366
ΔH_f, kcal/mol:	8.96
Dipole, Da:	5.79
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NOC(=N2)C3CCOCC3)C

DOS

IR

Vibrations