Geometry & MOs

Info

ID:

123873

PubChem CID:

50863462

Reduced:

ClSN3O4C29H34 (1)

Stoich.:

ABC3D4E29F34 (1)

Weight, g/mol:

496.219592

ΔHf, kcal/mol:

-150.16

Dipole, Da:

13.81

IP(EA), eV:

 -8.15(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N(C(=O)S3)CC(=O)NC4=CC=C(C=C4)OCC)C(CC1(C)C)C

DOS

IR

Vibrations