Geometry & MOs

Info

ID:	392474
PubChem CID:	135016862
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	472.195101
ΔH_f, kcal/mol:	-153.59
Dipole, Da:	1.4
IP(EA), eV:	-10.02(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,8S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-4,4-dimethyl-2-oxocyclopentyl]-4-oxo-3-oxabicyclo[4.2.0]oct-5-en-8-yl] methanesulfonate

Drug info:

PubChemData

Smile

COC(=O)C1=C2CCC[C@@]3([C@H]2[C@H]1CC3)C(=O)OC

DOS

IR

Vibrations