Geometry & MOs

Info

ID:

123783

PubChem CID:

50862075

Reduced:

SO2N4C31H34 (1)

Stoich.:

AB2C4D31E34 (1)

Weight, g/mol:

502.14932

ΔHf, kcal/mol:

2.32

Dipole, Da:

8.08

IP(EA), eV:

 -7.94(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CC5=CN=CC=C5)C(CC1(C)C)C

DOS

IR

Vibrations