Geometry & MOs

Info

ID:	263531
PubChem CID:	103375875
Reduced:	FNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	219.056529
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	2.49
IP(EA), eV:	-10.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyethoxy)-1,1-dioxothiane-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(C#N)OCCO

DOS

IR

Vibrations