Geometry & MOs

Info

ID:	200552
PubChem CID:	79410175
Reduced:	NCl2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	267.077658
ΔH_f, kcal/mol:	-124.2
Dipole, Da:	3.07
IP(EA), eV:	-9.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]sulfonylpropanoate

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)C2=C(C=CC=C2Cl)Cl)O)O

DOS

IR

Vibrations