Geometry & MOs

Info

ID:	197101
PubChem CID:	78921932
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	299.038292
ΔH_f, kcal/mol:	-149.89
Dipole, Da:	5.5
IP(EA), eV:	-9.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-(4-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)C(=O)N2CCC[C@@H]2C(=O)O

DOS

IR

Vibrations