Geometry & MOs

Info

ID:	411866
PubChem CID:	135084711
Reduced:	PO2N4C41H53 (1)
Stoich.:	AB2C4D41E53 (1)
Weight, g/mol:	876.232779
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	2.11
IP(EA), eV:	-8.64(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diphenylpyridin-1-ium;1-(2-sulfonatonaphthalen-1-yl)naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(NP2(N1C)(NC([C@@H](N2C)C(C)C)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C(C)(C)C)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations