Geometry & MOs

Info

ID:	391130
PubChem CID:	135003015
Reduced:	OS2C23H46 (1)
Stoich.:	AB2C23D46 (1)
Weight, g/mol:	536.238286
ΔH_f, kcal/mol:	-145.71
Dipole, Da:	0.94
IP(EA), eV:	-9.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-3-(2-phenylethyl)-5-(5-phenylpent-2-ynyl)-7-(5-trimethylsilylfuran-2-yl)-4,6-dihydro-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCSC(=O)SC(CCCC)(CCCC)CCCC

DOS

IR

Vibrations