Geometry & MOs

Info

ID:

123869

PubChem CID:

50863429

Reduced:

FON3C24H30 (1)

Stoich.:

ABC3D24E30 (1)

Weight, g/mol:

529.160219

ΔHf, kcal/mol:

-56.34

Dipole, Da:

6.15

IP(EA), eV:

 -8.23(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5E)-5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations