Geometry & MOs

Info

ID:

180945

PubChem CID:

76709544

Reduced:

Cl2F2N2O5H30C37 (1)

Stoich.:

A2B2C2D5E30F37 (1)

Weight, g/mol:

698.076916

ΔHf, kcal/mol:

-195.82

Dipole, Da:

3.96

IP(EA), eV:

 -8.87(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC1=C(C=C(C=C1)C2=CC=C(C=C2)C=CC3=NC(=CN3CC4=C(C(=C(C=C4)C(=O)O)F)F)C5=C(C=C(C=C5)Cl)Cl)OC

DOS

IR

Vibrations