Geometry & MOs

Info

ID:	382631
PubChem CID:	134973903
Reduced:	O7C16H20 (1)
Stoich.:	A7B16C20 (1)
Weight, g/mol:	558.243765
ΔH_f, kcal/mol:	-272.31
Dipole, Da:	6.36
IP(EA), eV:	-10.13(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[(5S,6S)-6-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-methoxy-2-oxo-1-oxaspiro[4.5]deca-3,7-dien-9-ylidene]methyl] acetate

Drug info:

PubChemData

Smile

COC1=CC(=O)O[C@]12CCC3(C[C@H]2/C=C/C(=O)OC)OCCO3

DOS

IR

Vibrations