Geometry & MOs

Info

ID:

317579

PubChem CID:

126643777

Reduced:

ClSF3O3N6H20C28 (1)

Stoich.:

ABC3D3E6F20G28 (1)

Weight, g/mol:

622.197394

ΔHf, kcal/mol:

-138.54

Dipole, Da:

3.39

IP(EA), eV:

 -8.77(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl]phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)N\2C(=O)CS/C2=N\C(=O)NC3=CC=C(C=C3)/C=C/C4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations