Geometry & MOs

Info

ID:	129147
PubChem CID:	51071493
Reduced:	FN3O3C28H44 (1)
Stoich.:	AB3C3D28E44 (1)
Weight, g/mol:	451.151904
ΔH_f, kcal/mol:	-216.45
Dipole, Da:	10.05
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations