Geometry & MOs

Info

ID:

180946

PubChem CID:

76709545

Reduced:

SCl2F3N4O4H23C33 (1)

Stoich.:

AB2C3D4E4F23G33 (1)

Weight, g/mol:

632.135751

ΔHf, kcal/mol:

-187.91

Dipole, Da:

4.21

IP(EA), eV:

 -8.92(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]pyrazolidin-3-one

Drug info:

PubChemData

Smile

C1C(=O)NS(=O)(=O)N1C2=CC=C(C=C2)CN3C=C(N=C3C=CC4=CC=C(C=C4)C5=CC(=CC=C5)OC(F)(F)F)C6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations