Geometry & MOs

Info

ID:

87780

PubChem CID:

49897275

Reduced:

ClSN2O5H21C26 (1)

Stoich.:

ABC2D5E21F26 (1)

Weight, g/mol:

560.06167

ΔHf, kcal/mol:

-108.68

Dipole, Da:

3.92

IP(EA), eV:

 -9.06(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Cl)OCC4=CC=CC=C4

DOS

IR

Vibrations