Geometry & MOs

Info

ID:	187344
PubChem CID:	77561448
Reduced:	SN3F4O4C17H21 (1)
Stoich.:	AB3C4D4E17F21 (1)
Weight, g/mol:	202.047738
ΔH_f, kcal/mol:	-322.3
Dipole, Da:	7.2
IP(EA), eV:	-8.66(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-7-oxo-2,6-dioxabicyclo[3.2.1]octan-8-yl) acetate

Drug info:

PubChemData

Smile

COCCN1C2CCC(CC2C(=O)N1)C3=C(C=CC(=C3C(F)(F)F)F)S(=O)(=O)N

DOS

IR

Vibrations