Geometry & MOs

Info

ID:	244233
PubChem CID:	99319525
Reduced:	FN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	363.19582
ΔH_f, kcal/mol:	-180.58
Dipole, Da:	4.47
IP(EA), eV:	-9.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCNC(=O)CC2=CC(=CC=C2)F

DOS

IR

Vibrations