Geometry & MOs

Info

ID:	123497
PubChem CID:	50850386
Reduced:	SO2N4H6C11 (1)
Stoich.:	AB2C4D6E11 (1)
Weight, g/mol:	258.021147
ΔH_f, kcal/mol:	82.18
Dipole, Da:	2.83
IP(EA), eV:	-10.0(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-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)C=O

DOS

IR

Vibrations