Geometry & MOs

Info

ID:	226752
PubChem CID:	87558078
Reduced:	O6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	560.014653
ΔH_f, kcal/mol:	-161.76
Dipole, Da:	4.0
IP(EA), eV:	-8.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[1-[(dichloroamino)-[3-(1,3-dioxo-1-thiophen-2-ylpropan-2-yl)pyridin-1-ium-1-yl]amino]pyridin-1-ium-3-yl]-3-oxo-3-thiophen-2-ylpropanal

Drug info:

PubChemData

Smile

CCOCCOCCOC(C)OC1=CC2=C(C=C1)OOC2

DOS

IR

Vibrations