Geometry & MOs

Info

ID:	294896
PubChem CID:	117502853
Reduced:	BrO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	317.073322
ΔH_f, kcal/mol:	-122.81
Dipole, Da:	2.2
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)Br)OC)C(C)(C)CO

DOS

IR

Vibrations