Geometry & MOs

Info

ID:	395934
PubChem CID:	135026987
Reduced:	SiO3C22H34 (1)
Stoich.:	AB3C22D34 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-161.63
Dipole, Da:	3.35
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1S,4R,12R)-9-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-5,7,10-trien-1-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OCC[C@]12C=CC(=O)C3=CC=C[C@H]([C@H]31)CO2

DOS

IR

Vibrations