Geometry & MOs

Info

ID:	132481
PubChem CID:	51368399
Reduced:	SO2F3N4H11C19 (1)
Stoich.:	AB2C3D4E11F19 (1)
Weight, g/mol:	430.005802
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	8.71
IP(EA), eV:	-9.0(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(2,4-dichlorophenyl)-2-methylfuran-3-yl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C1C(=NN2C(=NN=C2S1)C3=CC=CO3)C4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations