Geometry & MOs

Info

ID:	337350
PubChem CID:	127257035
Reduced:	SN2O4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-73.12
Dipole, Da:	4.56
IP(EA), eV:	-8.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-6-methylphenyl) pyridine-3-sulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=CC=C2)N)OS(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations