Geometry & MOs

Info

ID:

181923

PubChem CID:

76814496

Reduced:

ClS2F3N5O7H19C25 (1)

Stoich.:

AB2C3D5E7F19G25 (1)

Weight, g/mol:

550.105324

ΔHf, kcal/mol:

-339.42

Dipole, Da:

5.46

IP(EA), eV:

 -9.13(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methoxyindazol-5-yl]methylidene]-3-piperidin-4-yl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)N1CCN(S1(=O)=O)C(=O)CN2C(=O)C(=CC3=CC4=C(C=C3)N(N=C4)CC5=C(C=C(C=C5)Cl)C(F)(F)F)SC2=O

DOS

IR

Vibrations