Geometry & MOs

Info

ID:

53001

PubChem CID:

14709377

Reduced:

NS2O6H17C20 (1)

Stoich.:

AB2C6D17E20 (1)

Weight, g/mol:

480.063606

ΔHf, kcal/mol:

-136.21

Dipole, Da:

9.08

IP(EA), eV:

 -9.44(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-ethyl-5-[(E,4Z)-2-(2-hydroxybenzoyl)-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=COC4=CC=CC=C4C3=O.COS(=O)(=O)[O-]

DOS

IR

Vibrations