Geometry & MOs

Info

ID:	124263
PubChem CID:	50876527
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	362.973499
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	6.92
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC

DOS

IR

Vibrations