Geometry & MOs

Info

ID:	86015
PubChem CID:	49881017
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	419.130363
ΔH_f, kcal/mol:	5.41
Dipole, Da:	5.05
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-(2-naphthalen-1-yloxyethylsulfanyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCN)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations