Geometry & MOs

Info

ID:	232104
PubChem CID:	87575518
Reduced:	SO2N4H10C14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	442.240248
ΔH_f, kcal/mol:	86.45
Dipole, Da:	7.21
IP(EA), eV:	-9.12(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-[5-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propoxy]pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(SC(=N2)N)C3=CN=CC=C3

DOS

IR

Vibrations