Geometry & MOs

Info

ID:	230074
PubChem CID:	87570023
Reduced:	NF2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	240.084517
ΔH_f, kcal/mol:	-147.79
Dipole, Da:	4.83
IP(EA), eV:	-8.67(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dioxetane;(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

COC(=O)/C(=N/OC)/C1=CC=CC=C1COC2=CC=C(C=C2)C=C(F)F

DOS

IR

Vibrations