Geometry & MOs

Info

ID:	145507
PubChem CID:	53536504
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	306.04967
ΔH_f, kcal/mol:	-33.33
Dipole, Da:	3.71
IP(EA), eV:	-8.41(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-2-[(E)-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enyl]sulfanylpyridin-1-ium

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1O)C(=O)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations