Geometry & MOs

Info

ID:	12987
PubChem CID:	219726
Reduced:	O8H22C27 (1)
Stoich.:	A8B22C27 (1)
Weight, g/mol:	474.131468
ΔH_f, kcal/mol:	-150.02
Dipole, Da:	8.56
IP(EA), eV:	-10.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dibenzoyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl) benzoate

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O1)O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations