Geometry & MOs

Info

ID:	123960
PubChem CID:	50867714
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	466.172642
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	7.26
IP(EA), eV:	-8.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3)C(=CC1(C)C)C

DOS

IR

Vibrations