Geometry & MOs

Info

ID:	391908
PubChem CID:	135010884
Reduced:	BrO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	476.186875
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	1.39
IP(EA), eV:	-9.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[(1R,3S,5S)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl]ethyl]phenyl] [(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(C2=CC=C(C=C2)Br)C(C(=O)C)C(=O)C)C

DOS

IR

Vibrations