Geometry & MOs

Info

ID:

53480

PubChem CID:

14716265

Reduced:

KSeN2S3O4H25C26 (1)

Stoich.:

ABC2D3E4F25G26 (1)

Weight, g/mol:

486.014402

ΔHf, kcal/mol:

-84.21

Dipole, Da:

27.61

IP(EA), eV:

 -8.2(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;2-[(5Z)-5-[(E,4E)-4-(1-ethylquinolin-4-ylidene)but-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C(=C/C=C\2/N(C3=CC=CC=C3[Se]2)CCCS(=O)(=O)[O-])/CC4=CC=CC=C4)/SC1=S.[K+]

DOS

IR

Vibrations