Geometry & MOs

Info

ID:	129149
PubChem CID:	51071495
Reduced:	ClFN3O3C17H21 (1)
Stoich.:	ABC3D3E17F21 (1)
Weight, g/mol:	413.175084
ΔH_f, kcal/mol:	-177.73
Dipole, Da:	7.62
IP(EA), eV:	-9.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CCCl)C(=O)NCCNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations