Geometry & MOs

Info

ID:	337347
PubChem CID:	127257032
Reduced:	BrSN2O3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	360.033541
ΔH_f, kcal/mol:	-27.9
Dipole, Da:	5.78
IP(EA), eV:	-8.66(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations