Geometry & MOs

Info

ID:	123913
PubChem CID:	50865214
Reduced:	ClO2F3N4H20C21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	479.204277
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	11.6
IP(EA), eV:	-8.29(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)Cl)/C=N/NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C)(C)C

DOS

IR

Vibrations