Geometry & MOs

Info

ID:	197102
PubChem CID:	78921938
Reduced:	ClNSO3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-118.21
Dipole, Da:	6.02
IP(EA), eV:	-9.28(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)CSC2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations