Geometry & MOs

Info

ID:	33662
PubChem CID:	7887366
Reduced:	NSO3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	343.067843
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	4.72
IP(EA), eV:	-8.6(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations