Geometry & MOs

Info

ID:	124258
PubChem CID:	50876515
Reduced:	NSCl2O4H11C13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	344.99932
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	7.52
IP(EA), eV:	-9.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloropyridin-2-yl) 2,4,5-trimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations