Geometry & MOs

Info

ID:	120664
PubChem CID:	50739749
Reduced:	O2S2N4H16C19 (1)
Stoich.:	A2B2C4D16E19 (1)
Weight, g/mol:	391.021597
ΔH_f, kcal/mol:	46.57
Dipole, Da:	4.28
IP(EA), eV:	-8.26(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2/C=C\3/C(=O)N(/C(=N/C4=NC=CS4)/S3)CC=C

DOS

IR

Vibrations