Geometry & MOs

Info

ID:	224449
PubChem CID:	85343052
Reduced:	SO7C25H34 (1)
Stoich.:	AB7C25D34 (1)
Weight, g/mol:	482.248851
ΔH_f, kcal/mol:	-276.47
Dipole, Da:	5.7
IP(EA), eV:	-9.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-(hydroxymethyl)-3,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C2(CC1)C(OC(O2)(C)C)CCS(=O)(=O)C3=CC=CC=C3)(C)C)C4(OCCO4)C=O

DOS

IR

Vibrations