Geometry & MOs

Info

ID:

181921

PubChem CID:

76814405

Reduced:

ClSF3O4N5H17C25 (1)

Stoich.:

ABC3D4E5F17G25 (1)

Weight, g/mol:

595.117096

ΔHf, kcal/mol:

-197.65

Dipole, Da:

2.67

IP(EA), eV:

 -9.12(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C=C3C(=O)N(C(=O)S3)C(CC4=CN=CN4)C(=O)O)C=NN2CC5=C(C=C(C=C5)Cl)C(F)(F)F

DOS

IR

Vibrations