Geometry & MOs

Info

ID:

181925

PubChem CID:

76814515

Reduced:

ClSO2F3N4H24C26 (1)

Stoich.:

ABC2D3E4F24G26 (1)

Weight, g/mol:

564.084588

ΔHf, kcal/mol:

-169.48

Dipole, Da:

4.2

IP(EA), eV:

 -9.18(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]benzotriazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CC(C1)N)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