Geometry & MOs

Info

ID:	220173
PubChem CID:	85165325
Reduced:	FO3C19H37 (1)
Stoich.:	AB3C19D37 (1)
Weight, g/mol:	665.03375
ΔH_f, kcal/mol:	-267.37
Dipole, Da:	3.38
IP(EA), eV:	-10.46(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[3-ethyl-5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-1,3-thiazol-3-ium-2-yl]methylidene]benzo[g][1,3]benzothiazol-3-yl]propanoic acid;iodide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(CCCCCCCC(=O)OC)O)F

DOS

IR

Vibrations