Geometry & MOs

Info

ID:	16728
PubChem CID:	476060
Reduced:	O7C19H20 (1)
Stoich.:	A7B19C20 (1)
Weight, g/mol:	360.120903
ΔH_f, kcal/mol:	-289.41
Dipole, Da:	6.97
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,10R)-9-acetyloxy-4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC3=C2[C@H]([C@H](C(O3)(C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations