Geometry & MOs

Info

ID:	201426
PubChem CID:	79539038
Reduced:	NO2F3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	327.069592
ΔH_f, kcal/mol:	-245.56
Dipole, Da:	6.83
IP(EA), eV:	-9.55(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(CC1CCCN1C(=O)C2=CC=CC=C2C(F)(F)F)O

DOS

IR

Vibrations