Geometry & MOs

Info

ID:

181926

PubChem CID:

76814520

Reduced:

ClSF3N4O4H20C25 (1)

Stoich.:

ABC3D4E4F20G25 (1)

Weight, g/mol:

580.132288

ΔHf, kcal/mol:

-231.69

Dipole, Da:

3.38

IP(EA), eV:

 -9.74(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methylindazol-5-yl]methylidene]-3-(1-ethyl-3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)O)N2C(=O)C(=CC3=CC4=C(C=C3)N(N=N4)CC5=C(C=C(C=C5)Cl)C(F)(F)F)SC2=O

DOS

IR

Vibrations