Geometry & MOs

Info

ID:	28800
PubChem CID:	829718
Reduced:	FNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-165.14
Dipole, Da:	3.58
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)OC)OC2=CC=CC=C2F

DOS

IR

Vibrations