Geometry & MOs

Info

ID:	385582
PubChem CID:	134979475
Reduced:	SiO3C12H22 (1)
Stoich.:	AB3C12D22 (1)
Weight, g/mol:	320.089603
ΔH_f, kcal/mol:	-199.7
Dipole, Da:	2.39
IP(EA), eV:	-9.66(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R,4aS,8aR)-4a-acetyl-4-acetyloxy-5,8-dioxo-4,8a-dihydro-1H-naphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

CC1=C[C@H]([C@@H](CC1)C(=O)OC)O[Si](C)(C)C

DOS

IR

Vibrations