Geometry & MOs

Info

ID:	337346
PubChem CID:	127257031
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	403.98303
ΔH_f, kcal/mol:	-34.24
Dipole, Da:	3.28
IP(EA), eV:	-8.32(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-6-(4-bromophenyl)phenyl] pyridine-3-sulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations