Geometry & MOs

Info

ID:	294690
PubChem CID:	117481835
Reduced:	BrO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	299.062757
ΔH_f, kcal/mol:	-111.54
Dipole, Da:	6.63
IP(EA), eV:	-9.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-(1-isocyanatocyclopentyl)-3-methylsulfonylphenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2(CCCC2)C(=O)O)Br

DOS

IR

Vibrations