Geometry & MOs

Info

ID:	218903
PubChem CID:	85090138
Reduced:	O7C30H52 (1)
Stoich.:	A7B30C52 (1)
Weight, g/mol:	523.96883
ΔH_f, kcal/mol:	-408.6
Dipole, Da:	2.25
IP(EA), eV:	-9.67(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)selanyl-6-oxabicyclo[3.2.1]octan-7-one

Drug info:

PubChemData

Smile

CC(C)CCCCC1CC(C2C1OC(O2)(C)C)C(C(C3(CCC(CC3)OC4CCCCO4)C)O)C(=O)O

DOS

IR

Vibrations