Geometry & MOs

Info

ID:	226902
PubChem CID:	87558860
Reduced:	ClBr2N2O3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	250.012279
ΔH_f, kcal/mol:	-10.98
Dipole, Da:	1.62
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1,4-dioxan-2-yl]methyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CNC(=O)/C(=N\OC)/C1=CC=CC=C1COC2=C(C=C(C=C2)C=C(Br)Br)Cl

DOS

IR

Vibrations