Geometry & MOs

Info

ID:	165855
PubChem CID:	74605390
Reduced:	NPCl3O4H9C10 (1)
Stoich.:	ABC3D4E9F10 (1)
Weight, g/mol:	487.126243
ΔH_f, kcal/mol:	-206.5
Dipole, Da:	5.09
IP(EA), eV:	-9.96(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-3-[(benzylamino)-(furan-2-yl)methylidene]-6-(furan-2-yl)-1,3,5-triazinan-3-ium-2,4-dithione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)P(=O)([O-])[O-]

DOS

IR

Vibrations