Geometry & MOs

Info

ID:	283959
PubChem CID:	104022591
Reduced:	SO4N5C10H11 (1)
Stoich.:	AB4C5D10E11 (1)
Weight, g/mol:	253.063346
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	3.9
IP(EA), eV:	-10.46(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(5-methylpyridin-3-yl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN=C(N2C)S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations