Geometry & MOs

Info

ID:	19656
PubChem CID:	569734
Reduced:	O10H28C35 (1)
Stoich.:	A10B28C35 (1)
Weight, g/mol:	608.168247
ΔH_f, kcal/mol:	-291.29
Dipole, Da:	7.85
IP(EA), eV:	-9.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4-tribenzoyloxy-6,8-dioxabicyclo[3.2.1]octan-5-yl)methyl benzoate

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O1)(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations