Geometry & MOs

Info

ID:	23743
PubChem CID:	605765
Reduced:	FNSCl2O3H10C13 (1)
Stoich.:	ABCD2E3F10G13 (1)
Weight, g/mol:	348.974248
ΔH_f, kcal/mol:	-138.02
Dipole, Da:	3.51
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloro-2,6-dimethylpyridin-4-yl) 4-fluorobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations