Geometry & MOs

Info

ID:

88500

PubChem CID:

49903901

Reduced:

BrClSN2O5H16C24 (1)

Stoich.:

ABCD2E5F16G24 (1)

Weight, g/mol:

527.136236

ΔHf, kcal/mol:

-37.74

Dipole, Da:

5.01

IP(EA), eV:

 -9.44(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4Cl)Br)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations