Geometry & MOs

Info

ID:	129198
PubChem CID:	51071918
Reduced:	FN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	405.24277
ΔH_f, kcal/mol:	-161.12
Dipole, Da:	4.52
IP(EA), eV:	-9.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=CO2)C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations