Geometry & MOs

Info

ID:	337343
PubChem CID:	127257028
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	327.95173
ΔH_f, kcal/mol:	-78.89
Dipole, Da:	2.84
IP(EA), eV:	-8.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-bromophenyl) pyridine-3-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)N)OS(=O)(=O)C2=CN=CC=C2)C

DOS

IR

Vibrations