Geometry & MOs

Info

ID:	123700
PubChem CID:	50859562
Reduced:	FOSN3C24H26 (1)
Stoich.:	ABCD3E24F26 (1)
Weight, g/mol:	423.178062
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	7.06
IP(EA), eV:	-8.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-(2-methylanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)C)C)(C)C

DOS

IR

Vibrations