Geometry & MOs

Info

ID:	62491
PubChem CID:	26719794
Reduced:	FN2O5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	291.046235
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	6.84
IP(EA), eV:	-9.16(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC(=CC=C2)F)[N+](=O)[O-])OC

DOS

IR

Vibrations