Geometry & MOs

Info

ID:	385840
PubChem CID:	134980126
Reduced:	SiO4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	328.134215
ΔH_f, kcal/mol:	-230.36
Dipole, Da:	4.57
IP(EA), eV:	-9.52(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,3aS,7R,7aR)-7-methoxy-3-methyl-1-oxo-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2CC(=C[C@H]([C@@H]2C(=O)O1)OC)O[Si](C)(C)C

DOS

IR

Vibrations