Geometry & MOs

Info

ID:	278182
PubChem CID:	103833905
Reduced:	SN3O5C11H17 (1)
Stoich.:	AB3C5D11E17 (1)
Weight, g/mol:	353.94405
ΔH_f, kcal/mol:	-175.09
Dipole, Da:	4.47
IP(EA), eV:	-9.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(5-bromo-2-chloropyridin-3-yl)sulfonylpyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCC[C@@H]2CO

DOS

IR

Vibrations