Geometry & MOs

Info

ID:	200565
PubChem CID:	79411321
Reduced:	SN3O4C7H11 (1)
Stoich.:	AB3C4D7E11 (1)
Weight, g/mol:	311.043914
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	4.66
IP(EA), eV:	-9.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations