Geometry & MOs

Info

ID:

337249

PubChem CID:

127256814

Reduced:

F3N3O6C20H22 (1)

Stoich.:

A3B3C6D20E22 (1)

Weight, g/mol:

440.159221

ΔHf, kcal/mol:

-329.97

Dipole, Da:

4.98

IP(EA), eV:

 -8.89(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(E,3E)-3-[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-5-methyl-2H-1,3-benzothiazol-3-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OCCN(C)C.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations