Geometry & MOs

Info

ID:	123706
PubChem CID:	50859568
Reduced:	FSN2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	350.092284
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	9.11
IP(EA), eV:	-8.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C\3/C(=O)N(C(=O)S3)C)C)(C)C

DOS

IR

Vibrations