Geometry & MOs

Info

ID:	38323
PubChem CID:	8030458
Reduced:	SCl2O3N4C15H16 (1)
Stoich.:	AB2C3D4E15F16 (1)
Weight, g/mol:	342.058675
ΔH_f, kcal/mol:	-61.17
Dipole, Da:	3.37
IP(EA), eV:	-9.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenoxy)methyl]-6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations