Geometry & MOs

Info

ID:	303293
PubChem CID:	124489470
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	298.042356
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	2.53
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(3-cyano-4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN[C@@H](C)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations