Geometry & MOs

Info

ID:	300240
PubChem CID:	121269911
Reduced:	FNSO2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	355.012613
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	3.18
IP(EA), eV:	-8.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-4-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=S)OC1=C2C(=C(C=C1)F)CCC2=O

DOS

IR

Vibrations