Geometry & MOs

Info

ID:	406615
PubChem CID:	135078170
Reduced:	PSN2O3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	343.087829
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	10.47
IP(EA), eV:	-9.28(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-ethynylphenyl)prop-2-ynyl]-4-methoxypyridin-1-ium;methanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-]

DOS

IR

Vibrations