Geometry & MOs

Info

ID:	360725
PubChem CID:	127301370
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	342.122498
ΔH_f, kcal/mol:	-6.6
Dipole, Da:	4.99
IP(EA), eV:	-9.26(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,1-dioxothiolan-3-yl)-propylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations