Geometry & MOs

Info

ID:	18405
PubChem CID:	540452
Reduced:	NSO3C24H35 (1)
Stoich.:	ABC3D24E35 (1)
Weight, g/mol:	417.233765
ΔH_f, kcal/mol:	-118.0
Dipole, Da:	5.94
IP(EA), eV:	-8.39(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-7-pentadecylsulfanylquinoline-5,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

DOS

IR

Vibrations