Geometry & MOs

Info

ID:	268935
PubChem CID:	103602614
Reduced:	NSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	297.083493
ΔH_f, kcal/mol:	-143.44
Dipole, Da:	5.2
IP(EA), eV:	-9.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)NC(CC)(CO)CO)C

DOS

IR

Vibrations