Geometry & MOs

Info

ID:

186635

PubChem CID:

77457975

Reduced:

SF3O6N8C35H37 (1)

Stoich.:

AB3C6D8E35F37 (1)

Weight, g/mol:

590.06702

ΔHf, kcal/mol:

-278.92

Dipole, Da:

5.44

IP(EA), eV:

 -8.69(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,6-dichlorophenyl)-4-methyl-N-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]-1,3-thiazolidin-2-imine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N=C(NN=CC2=CC=C(C=C2)C3=NN(C=N3)C4=CC=C(C=C4)OC(F)(F)F)SCC(=O)NCC(C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations