Geometry & MOs

Info

ID:	125926
PubChem CID:	50944101
Reduced:	SF2N3O3C22H23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-178.63
Dipole, Da:	5.8
IP(EA), eV:	-9.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-1-benzoylpyrrolidine-2-carbonyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)C(=O)NCC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations