Geometry & MOs

Info

ID:	283911
PubChem CID:	104019910
Reduced:	ClO2S2N3C12H14 (1)
Stoich.:	AB2C2D3E12F14 (1)
Weight, g/mol:	370.89424
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	9.98
IP(EA), eV:	-9.5(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-2,6-difluorophenyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CN1C(=NN=C1S(=O)(=O)Cl)C2=CC3=C(S2)CCCCC3

DOS

IR

Vibrations