Geometry & MOs

Info

ID:	307171
PubChem CID:	125275601
Reduced:	FO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	358.144119
ΔH_f, kcal/mol:	-103.08
Dipole, Da:	5.5
IP(EA), eV:	-9.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-2-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)[C@H](CC2=CC(=CC=C2)F)CNC(=O)[C@@H]3C=CC=NC3=O

DOS

IR

Vibrations