Geometry & MOs

Info

ID:	77738
PubChem CID:	49658796
Reduced:	SO2N5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	393.089561
ΔH_f, kcal/mol:	91.87
Dipole, Da:	9.16
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-5-[5-methyl-1-(3-methylsulfanylphenyl)triazol-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)C3=C(N(N=N3)C4=CC(=CC=C4)SC)C

DOS

IR

Vibrations