Geometry & MOs

Info

ID:

180948

PubChem CID:

76709547

Reduced:

SCl2N3O4F6H23C34 (1)

Stoich.:

AB2C3D4E6F23G34 (1)

Weight, g/mol:

702.054073

ΔHf, kcal/mol:

-347.75

Dipole, Da:

6.81

IP(EA), eV:

 -8.89(-1.76)

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]-1,3,2,4-dithiadiazolidine 1,3,3-trioxide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(N=C2C=CC3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)C5=C(C=C(C=C5)Cl)Cl)N(CC(=O)O)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations