Geometry & MOs

Info

ID:	404660
PubChem CID:	135068819
Reduced:	O4C27H28 (1)
Stoich.:	A4B27C28 (1)
Weight, g/mol:	484.340413
ΔH_f, kcal/mol:	-62.28
Dipole, Da:	1.66
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-2-trimethylsilyloctan-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(COCC2=CC=CC=C2)(COCC3=CC=CC=C3)C=O

DOS

IR

Vibrations