Geometry & MOs

Info

ID:	26800
PubChem CID:	798512
Reduced:	NO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	253.057278
ΔH_f, kcal/mol:	-122.24
Dipole, Da:	6.9
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)[C@@]2(CC(=O)C3=CC=CC=C3O)O

DOS

IR

Vibrations