Geometry & MOs

Info

ID:	129199
PubChem CID:	51071922
Reduced:	FN3O3C22H32 (1)
Stoich.:	AB3C3D22E32 (1)
Weight, g/mol:	447.136112
ΔH_f, kcal/mol:	-198.15
Dipole, Da:	7.76
IP(EA), eV:	-9.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(4-chlorophenoxy)acetyl]-N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)N1CCC[C@H]1C(=O)NCCNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations