Geometry & MOs

Info

ID:

133444

PubChem CID:

51528561

Reduced:

ON2C12H13 (1)

Stoich.:

AB2C12D13 (1)

Weight, g/mol:

301.010545

ΔHf, kcal/mol:

-16.54

Dipole, Da:

2.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.220545

Charge, e:

 -1

Chem-info

IUPAC name:

7-methyl-3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinolin-2-olate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(C(=O)N2)C=[NH+]C

DOS

IR

Vibrations