Geometry & MOs

Info

ID:	197104
PubChem CID:	78921940
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	283.061136
ΔH_f, kcal/mol:	-128.95
Dipole, Da:	8.59
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCC[C@@H]3C(=O)O

DOS

IR

Vibrations