Geometry & MOs

Info

ID:	176573
PubChem CID:	76067626
Reduced:	Si3O7C41H70 (1)
Stoich.:	A3B7C41D70 (1)
Weight, g/mol:	382.217781
ΔH_f, kcal/mol:	-432.55
Dipole, Da:	5.37
IP(EA), eV:	-8.47(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-[4-(2-octa-1,5-dienyl-5-oxocyclopentyl)butylsulfanyl]acetate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(CC(C#CCC1=C(CCC1C=CC(COC2=CC=CC=C2)O[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C)O)C(=O)OC

DOS

IR

Vibrations