Geometry & MOs

Info

ID:	294778
PubChem CID:	117490636
Reduced:	NSF2O3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	305.142722
ΔH_f, kcal/mol:	-200.83
Dipole, Da:	4.7
IP(EA), eV:	-9.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-4-(1-isocyanatocyclopentyl)phenoxy]oxane

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2(CCCC2)N)F)S(=O)(=O)C)F

DOS

IR

Vibrations