Geometry & MOs

Info

ID:	265601
PubChem CID:	103532771
Reduced:	FSN2O5C11H13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	353.94405
ΔH_f, kcal/mol:	-142.34
Dipole, Da:	5.36
IP(EA), eV:	-10.05(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridine

Drug info:

PubChemData

Smile

COC1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations