Geometry & MOs

Info

ID:	128550
PubChem CID:	51049744
Reduced:	ClFN3O3C24H25 (1)
Stoich.:	ABC3D3E24F25 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-141.97
Dipole, Da:	3.6
IP(EA), eV:	-9.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-1-[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)[C@H]2CCCN2C(=O)C3=C(C=C(C=C3)F)Cl)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations