Geometry & MOs

Info

ID:	129195
PubChem CID:	51071905
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-131.32
Dipole, Da:	7.26
IP(EA), eV:	-9.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations