Geometry & MOs

Info

ID:	140953
PubChem CID:	52789159
Reduced:	FN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	332.038627
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	5.99
IP(EA), eV:	-8.91(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(6-ethylsulfanylpyridin-3-yl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])F

DOS

IR

Vibrations