Geometry & MOs

Info

ID:	129251
PubChem CID:	51072063
Reduced:	ClSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	363.069416
ΔH_f, kcal/mol:	13.59
Dipole, Da:	4.49
IP(EA), eV:	-9.41(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-naphthalen-1-ylsulfanylethyl)pyridine;phosphoric acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])SCCC2=CC=NC=C2.Cl

DOS

IR

Vibrations