Geometry & MOs

Info

ID:	20718
PubChem CID:	585363
Reduced:	NSCl2O3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	330.98367
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	4.97
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloropyridin-2-yl) (4-methylphenyl)methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CS(=O)(=O)OC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations