Geometry & MOs

Info

ID:

181924

PubChem CID:

76814514

Reduced:

ClSF3O3N4H22C25 (1)

Stoich.:

ABC3D3E4F22G25 (1)

Weight, g/mol:

548.126059

ΔHf, kcal/mol:

-185.11

Dipole, Da:

4.51

IP(EA), eV:

 -8.71(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NN(C2=C1C=C(C=C2)C=C3C(=O)N(C(=O)S3)C4CCNCC4)CC5=C(C=C(C=C5)Cl)C(F)(F)F

DOS

IR

Vibrations