Geometry & MOs

Info

ID:	227871
PubChem CID:	87562780
Reduced:	ClO3N4C8H9 (1)
Stoich.:	AB3C4D8E9 (1)
Weight, g/mol:	264.94083
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	4.74
IP(EA), eV:	-9.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromopyridin-3-yl) ethanesulfonate

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)NCC(=O)O)/C(=N\O)/N

DOS

IR

Vibrations