Geometry & MOs

Info

ID:	64234
PubChem CID:	29198622
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	253.057278
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	5.22
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1[C@H](CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations