Geometry & MOs

Info

ID:	337342
PubChem CID:	127257027
Reduced:	SN2O3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	3.05
IP(EA), eV:	-8.45(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4,6-dimethylphenyl) pyridine-3-sulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations