Geometry & MOs

Info

ID:	226564
PubChem CID:	87544101
Reduced:	SF3O4N5C28H28 (1)
Stoich.:	AB3C4D5E28F28 (1)
Weight, g/mol:	318.124943
ΔH_f, kcal/mol:	-215.39
Dipole, Da:	4.54
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3E)-3-tert-butylsulfinyliminopropyl]pyrrolidine-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=NC(=NC(=C2)C(=S(=O)=O)C3=CC=CC=C3C(F)(F)F)C4=CC=C(C=C4)NC(=O)NC5CCC5

DOS

IR

Vibrations