Geometry & MOs

Info

ID:

324389

PubChem CID:

126677562

Reduced:

ON6C22H26 (1)

Stoich.:

AB6C22D26 (1)

Weight, g/mol:

678.148393

ΔHf, kcal/mol:

79.53

Dipole, Da:

3.29

IP(EA), eV:

 -8.72(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[hydroxy-[4-[(E)-2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethenyl]anilino]methyl]imino-3-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1CN(C1)C2=NC3=NNC(=C3C=N2)COC4=C(C=C(C(=C4)C)C#N)C(C)(C)C

DOS

IR

Vibrations