Geometry & MOs

Info

ID:	57971
PubChem CID:	24398062
Reduced:	ClN2S2O4H17C19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	315.072928
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	5.19
IP(EA), eV:	-8.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations