Geometry & MOs

Info

ID:	381549
PubChem CID:	134972317
Reduced:	O26C39H54 (1)
Stoich.:	A26B39C54 (1)
Weight, g/mol:	140.047344
ΔH_f, kcal/mol:	-1167.47
Dipole, Da:	4.23
IP(EA), eV:	-9.73(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-2,9-dioxabicyclo[3.3.1]non-6-en-8-one

Drug info:

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]3C(C([C@@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations