Geometry & MOs

Info

ID:	387234
PubChem CID:	134984517
Reduced:	NSCl3O4C13H16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	3.21
IP(EA), eV:	-9.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitroso-5-octyl-2,6-dioxo-3H-pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations