Geometry & MOs

Info

ID:	151395
PubChem CID:	53801189
Reduced:	NSO7C17H21 (1)
Stoich.:	ABC7D17E21 (1)
Weight, g/mol:	287.041628
ΔH_f, kcal/mol:	-266.77
Dipole, Da:	7.54
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[amino-(4-fluorophenyl)methylidene]-1-oxo-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

CN1[C@@H](CSCC2=C(C=C(C=C2O)OC)C(=O)OCCC1=O)C(=O)OC

DOS

IR

Vibrations