Geometry & MOs

Info

ID:

87996

PubChem CID:

49899492

Reduced:

SCl2N2O4H20C29 (1)

Stoich.:

AB2C2D4E20F29 (1)

Weight, g/mol:

532.99252

ΔHf, kcal/mol:

-71.49

Dipole, Da:

1.61

IP(EA), eV:

 -9.02(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC(=C(C=C4)OCC(=O)NC5=CC=C(C=C5)Cl)Cl)/SC3=O

DOS

IR

Vibrations