Geometry & MOs

Info

ID:	283912
PubChem CID:	104019943
Reduced:	BrClSF2O2N3H5C9 (1)
Stoich.:	ABCD2E2F3G5H9 (1)
Weight, g/mol:	292.983732
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	8.4
IP(EA), eV:	-10.76(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-difluorophenyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CN1C(=NN=C1S(=O)(=O)Cl)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations