Geometry & MOs

Info

ID:

167271

PubChem CID:

74799292

Reduced:

O3N4C15H21 (1)

Stoich.:

A3B4C15D21 (1)

Weight, g/mol:

346.981265

ΔHf, kcal/mol:

-40.61

Dipole, Da:

5.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.980168

Charge, e:

 -1

Chem-info

IUPAC name:

5-benzylidene-2-(2,3-dichlorophenyl)imino-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCCCC3CO

DOS

IR

Vibrations