Geometry & MOs

Info

ID:	123974
PubChem CID:	50868309
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	450.177727
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	7.93
IP(EA), eV:	-7.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=N/NC(=O)CC3=CC=C(C=C3)OC)C(=CC1(C)C)C

DOS

IR

Vibrations