Geometry & MOs

Info

ID:

424431

PubChem CID:

135122663

Reduced:

SN4O4C21H28 (1)

Stoich.:

AB4C4D21E28 (1)

Weight, g/mol:

567.191581

ΔHf, kcal/mol:

-119.61

Dipole, Da:

5.82

IP(EA), eV:

 -9.49(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(E)-[(E)-2-methyl-3-[6-[N-methyl-4-(trifluoromethoxy)anilino]pyridin-3-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)CCCCOC(=O)C4=CSN=C4

DOS

IR

Vibrations