Geometry & MOs

Info

ID:	379935
PubChem CID:	134964358
Reduced:	NO2F3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	320.99932
ΔH_f, kcal/mol:	-187.5
Dipole, Da:	3.67
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-chloro-4-(chloromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@]1(CC(N(O1)C)C2=CC=C(C=C2)C(F)(F)F)C=O

DOS

IR

Vibrations