Geometry & MOs

Info

ID:	24696
PubChem CID:	612309
Reduced:	NSO3C24H35 (1)
Stoich.:	ABC3D24E35 (1)
Weight, g/mol:	417.233765
ΔH_f, kcal/mol:	-147.59
Dipole, Da:	7.02
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-butyl-7-octylsulfanyl-4-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCSC1=CC2=C(C=C1CCCC)C(=O)C(=CN2)C(=O)OCC

DOS

IR

Vibrations