Geometry & MOs

Info

ID:	380471
PubChem CID:	134970929
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-122.69
Dipole, Da:	1.98
IP(EA), eV:	-9.65(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3R,7E,10R,11R)-10-methyl-6,14-dioxo-3-propan-2-yl-15-oxatricyclo[9.3.1.02,7]pentadec-7-en-10-yl] acetate

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1C=C[C@@H]([C@@H]([C@@H]1O)COC)COC

DOS

IR

Vibrations