Geometry & MOs

Info

ID:	283938
PubChem CID:	104021714
Reduced:	SN4O4C12H16 (1)
Stoich.:	AB4C4D12E16 (1)
Weight, g/mol:	288.046316
ΔH_f, kcal/mol:	-90.17
Dipole, Da:	5.14
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-(4-ethylthiadiazol-5-yl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)N)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations