Geometry & MOs

Info

ID:	283894
PubChem CID:	104018069
Reduced:	ClSO2F3H3N3C8 (1)
Stoich.:	ABC2D3E3F3G8 (1)
Weight, g/mol:	271.018225
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	3.8
IP(EA), eV:	-10.67(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C2=NNC(=N2)S(=O)(=O)Cl)F)F

DOS

IR

Vibrations