Geometry & MOs

Info

ID:	342278
PubChem CID:	127265055
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	359.085911
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	2.71
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-5-[(2-chloro-8-methylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1C3CCCN3C(=O)C4=CC(=C(C=C4)OCC(=O)N)OC

DOS

IR

Vibrations