Geometry & MOs

Info

ID:	176648
PubChem CID:	76079392
Reduced:	ClN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	261.022841
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	1.98
IP(EA), eV:	-8.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,6-dimethyl-7-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-6-ium-2-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=C(OC3=C2C(=C(C=C3)Cl)NC1)C4C5CC4NC5=O

DOS

IR

Vibrations