Geometry & MOs

Info

ID:	208209
PubChem CID:	80503625
Reduced:	NSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	277.014185
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	6.8
IP(EA), eV:	-8.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-6-chloropyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3O

DOS

IR

Vibrations