Geometry & MOs

Info

ID:	124000
PubChem CID:	50869363
Reduced:	FOSN3H24C25 (1)
Stoich.:	ABCD3E24F25 (1)
Weight, g/mol:	507.235577
ΔH_f, kcal/mol:	-4.97
Dipole, Da:	8.34
IP(EA), eV:	-8.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3)C(=CC1(C)C)C

DOS

IR

Vibrations