Geometry & MOs

Info

ID:	313040
PubChem CID:	126610905
Reduced:	ClF3O3N5H23C24 (1)
Stoich.:	AB3C3D5E23F24 (1)
Weight, g/mol:	335.103873
ΔH_f, kcal/mol:	-199.05
Dipole, Da:	7.87
IP(EA), eV:	-9.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dioxo-1-(2-propylhexanoyloxy)pyrrolidine-3-sulfonic acid

Drug info:

PubChemData

Smile

C1CN(CC[C@@H]2[C@H]1CN(C2)C(=O)C3=CC4=NNN=C4C=C3)C(=O)OCC5=CC(=CC(=C5)Cl)C(F)(F)F

DOS

IR

Vibrations