Geometry & MOs

Info

ID:

324223

PubChem CID:

126677180

Reduced:

ClO3N5C19H22 (1)

Stoich.:

AB3C5D19E22 (1)

Weight, g/mol:

600.156672

ΔHf, kcal/mol:

-41.31

Dipole, Da:

3.51

IP(EA), eV:

 -9.24(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-3-(2-fluoro-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

CCCOCN1C(=O)N(C(=N1)COC2=C(C=C(C(=C2)C)Cl)C3=NC=CN=C3)C

DOS

IR

Vibrations