Geometry & MOs

Info

ID:	283893
PubChem CID:	104018000
Reduced:	ClSO2N3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	296.95866
ΔH_f, kcal/mol:	-19.23
Dipole, Da:	8.84
IP(EA), eV:	-9.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4,6-trifluorophenyl)-1H-1,2,4-triazole-5-sulfonyl chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC2=NC(=NN2)S(=O)(=O)Cl

DOS

IR

Vibrations