Geometry & MOs

Info

ID:	302841
PubChem CID:	124397425
Reduced:	FNO3C24H24 (1)
Stoich.:	ABC3D24E24 (1)
Weight, g/mol:	267.038771
ΔH_f, kcal/mol:	-122.82
Dipole, Da:	3.61
IP(EA), eV:	-8.3(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3-[(S)-methylsulfinyl]-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H]3C[C@@H](CC(=O)O3)O)C4=CC=C(C=C4)F

DOS

IR

Vibrations