Geometry & MOs

Info

ID:	200566
PubChem CID:	79411322
Reduced:	NSF3O4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	354.995107
ΔH_f, kcal/mol:	-303.95
Dipole, Da:	2.2
IP(EA), eV:	-10.17(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)O)O

DOS

IR

Vibrations