Geometry & MOs

Info

ID:	374083
PubChem CID:	131323505
Reduced:	BrN2O4H5C9 (1)
Stoich.:	AB2C4D5E9 (1)
Weight, g/mol:	248.986257
ΔH_f, kcal/mol:	-10.38
Dipole, Da:	3.99
IP(EA), eV:	-10.76(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chlorosulfonylpyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)C(=O)CBr

DOS

IR

Vibrations