Geometry & MOs

Info

ID:	227622
PubChem CID:	87562109
Reduced:	ClKNSO3H6C9 (1)
Stoich.:	ABCDE3F6G9 (1)
Weight, g/mol:	659.189151
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	7.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124232
Charge, e:	2

Chem-info

IUPAC name:

oxo-[2-[6-[1-[6-[2-[oxo(phenyl)phosphaniumyl]phenyl]pyridin-2-yl]-1-pyridin-2-ylethyl]pyridin-2-yl]phenyl]-phenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)Cl)S(=O)(=O)O.[K]

DOS

IR

Vibrations