Geometry & MOs

Info

ID:

124136

PubChem CID:

50873244

Reduced:

SN2F3O5H13C23 (1)

Stoich.:

AB2C3D5E13F23 (1)

Weight, g/mol:

471.117415

ΔHf, kcal/mol:

-177.13

Dipole, Da:

5.63

IP(EA), eV:

 -9.57(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5E)-5-[[2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations