Geometry & MOs

Info

ID:	203548
PubChem CID:	79843395
Reduced:	FSN3O3C13H20 (1)
Stoich.:	ABC3D3E13F20 (1)
Weight, g/mol:	311.082744
ΔH_f, kcal/mol:	-159.65
Dipole, Da:	6.67
IP(EA), eV:	-8.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(2-methylsulfonylethyl)amino]methyl]-1-benzofuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCC(=O)NC1=CC(=C(C=C1)F)N)CCS(=O)(=O)C

DOS

IR

Vibrations