Geometry & MOs

Info

ID:

324459

PubChem CID:

126677715

Reduced:

SF4O4N6H30C32 (1)

Stoich.:

AB4C4D6E30F32 (1)

Weight, g/mol:

666.148393

ΔHf, kcal/mol:

-236.13

Dipole, Da:

6.53

IP(EA), eV:

 -8.73(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C=C(C=C1)C)N\2C(=O)CS/C2=N\C(NC3=C(C=C(C=C3)/C=C/C4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)F)O

DOS

IR

Vibrations