Geometry & MOs

Info

ID:	226579
PubChem CID:	87544231
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	363.008055
ΔH_f, kcal/mol:	-63.98
Dipole, Da:	7.0
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-chloro-6-methylpyridin-3-yl)-1,3-thiazol-4-yl]-3-nitrobenzene-1,2-diol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CCN1C2=CC=C(C3=CC=CC=C32)C#N)OS(=O)(=O)C

DOS

IR

Vibrations