Geometry & MOs

Info

ID:	84987
PubChem CID:	49871196
Reduced:	ClO4C24H33 (1)
Stoich.:	AB4C24D33 (1)
Weight, g/mol:	532.340643
ΔH_f, kcal/mol:	-203.8
Dipole, Da:	5.02
IP(EA), eV:	-8.7(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[(2R)-2-[tert-butyl(dimethyl)silyl]oxytetradec-13-enyl]-5-methyl-3-phenylsulfanyloxolan-2-one

Drug info:

PubChemData

Smile

CCCC1C(=O)CC(OC1=O)(CCC2=CC(=C(C=C2)OC(C)C)Cl)C3CCCC3

DOS

IR

Vibrations