Geometry & MOs

Info

ID:	283958
PubChem CID:	104022590
Reduced:	SCl2O2N4H8C9 (1)
Stoich.:	AB2C2D4E8F9 (1)
Weight, g/mol:	297.053175
ΔH_f, kcal/mol:	-16.42
Dipole, Da:	3.67
IP(EA), eV:	-10.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=C1S(=O)(=O)N)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations