Geometry & MOs

Info

ID:

324444

PubChem CID:

126677681

Reduced:

SF3O4N6C32H33 (1)

Stoich.:

AB3C4D6E32F33 (1)

Weight, g/mol:

626.192309

ΔHf, kcal/mol:

-223.72

Dipole, Da:

3.45

IP(EA), eV:

 -8.59(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-3-(2-ethoxy-5-methylphenyl)-2-[hydroxy-[4-[2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl]anilino]methyl]imino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(C)(C)C)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations