Geometry & MOs

Info

ID:

317747

PubChem CID:

126645641

Reduced:

SF3O3N8H27C29 (1)

Stoich.:

AB3C3D8E27F29 (1)

Weight, g/mol:

623.192643

ΔHf, kcal/mol:

-146.06

Dipole, Da:

1.67

IP(EA), eV:

 -8.86(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]amino]methyl]phenyl]urea

Drug info:

PubChemData

Smile

CCCC1=C(C=C(C=C1)C)N\2C(=O)CS/C2=N\C(=O)NC3=NC=C(C=C3)CNC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations