Geometry & MOs

Info

ID:	221597
PubChem CID:	85285451
Reduced:	SSiO5C29H38 (1)
Stoich.:	ABC5D29E38 (1)
Weight, g/mol:	528.17788
ΔH_f, kcal/mol:	265.91
Dipole, Da:	14.8
IP(EA), eV:	-7.02(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxy-3-phenylprop-2-enyl)-5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-phenylselanyloxolan-2-one

Drug info:

PubChemData

Smile

CC1(C#CC=CC#CC(CC(C1(C=C)SC2=CC=CC=C2)C(=O)O)OCOC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations