Geometry & MOs

Info

ID:

123772

PubChem CID:

50861308

Reduced:

FOS2N4C24H27 (1)

Stoich.:

ABC2D4E24F27 (1)

Weight, g/mol:

495.199191

ΔHf, kcal/mol:

-12.38

Dipole, Da:

8.46

IP(EA), eV:

 -8.14(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5E)-5-[(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3)C(CC1(C)C)C

DOS

IR

Vibrations