Geometry & MOs

Info

ID:

192191

PubChem CID:

78240182

Reduced:

FSN2O5H12C22 (1)

Stoich.:

ABC2D5E12F22 (1)

Weight, g/mol:

362.153838

ΔHf, kcal/mol:

-73.56

Dipole, Da:

6.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.888997

Charge, e:

 1

Chem-info

IUPAC name:

5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])C(=O)NC2=S

DOS

IR

Vibrations