Geometry & MOs

Info

ID:

424437

PubChem CID:

135122687

Reduced:

N3O5C24H37 (1)

Stoich.:

A3B5C24D37 (1)

Weight, g/mol:

554.17118

ΔHf, kcal/mol:

-228.46

Dipole, Da:

4.41

IP(EA), eV:

 -9.46(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(E)-[(E)-2-methyl-3-[2-[4-(trifluoromethoxy)anilino]pyrimidin-5-yl]prop-2-enylidene]hydrazinylidene]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CC(C)(C)COC(=O)C4CCOCC4

DOS

IR

Vibrations