Geometry & MOs

Info

ID:	31771
PubChem CID:	3718044
Reduced:	ON2C28H30 (1)
Stoich.:	AB2C28D30 (1)
Weight, g/mol:	572.94766
ΔH_f, kcal/mol:	49.94
Dipole, Da:	1.47
IP(EA), eV:	-8.33(0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-ethyl-2-[3-(3-ethyl-[1]benzoselenolo[2,3-d][1,3]thiazol-3-ium-2-yl)prop-2-enylidene]-[1]benzoselenolo[2,3-d][1,3]thiazole

Drug info:

PubChemData

Smile

CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CNC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations