Geometry & MOs

Info

ID:	123496
PubChem CID:	50850385
Reduced:	OSN4H6C10 (1)
Stoich.:	ABC4D6E10 (1)
Weight, g/mol:	258.021147
ΔH_f, kcal/mol:	105.12
Dipole, Da:	4.8
IP(EA), eV:	-9.84(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-formylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=O)C2=NN3C=NN=C3S2

DOS

IR

Vibrations