Geometry & MOs

Info

ID:

87030

PubChem CID:

49890759

Reduced:

ClSN3O7H16C20 (1)

Stoich.:

ABC3D7E16F20 (1)

Weight, g/mol:

534.102764

ΔHf, kcal/mol:

-138.62

Dipole, Da:

4.99

IP(EA), eV:

 -9.26(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)/SC2=O

DOS

IR

Vibrations