Geometry & MOs

Info

ID:

324443

PubChem CID:

126677680

Reduced:

ClN2O5H23C24 (1)

Stoich.:

AB2C5D23E24 (1)

Weight, g/mol:

654.223609

ΔHf, kcal/mol:

-173.1

Dipole, Da:

6.57

IP(EA), eV:

 -9.33(-1.13)

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-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCC(=O)COC(=O)C(CC1=CC(=O)NC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations