Geometry & MOs

Info

ID:	123495
PubChem CID:	50850384
Reduced:	OSN4H6C10 (1)
Stoich.:	ABC4D6E10 (1)
Weight, g/mol:	230.026232
ΔH_f, kcal/mol:	105.18
Dipole, Da:	7.55
IP(EA), eV:	-9.77(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations