Geometry & MOs

Info

ID:	123878
PubChem CID:	50863659
Reduced:	FON3C27H32 (1)
Stoich.:	ABC3D27E32 (1)
Weight, g/mol:	465.225012
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	7.64
IP(EA), eV:	-8.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)CC)C(CC1(C)C)C

DOS

IR

Vibrations