Geometry & MOs

Info

ID:	337352
PubChem CID:	127257037
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	430.135114
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	4.9
IP(EA), eV:	-8.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-phenyl-2-(1-phenylethylamino)phenyl] pyridine-3-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=CC=C2)N)OS(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations