Geometry & MOs

Info

ID:	397917
PubChem CID:	135030978
Reduced:	S2O3C19H34 (1)
Stoich.:	A2B3C19D34 (1)
Weight, g/mol:	284.198759
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	1.66
IP(EA), eV:	-8.53(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R)-6-[(2-ethyl-1,3-dioxolan-2-yl)methyl]-2-pentyloxan-3-one

Drug info:

PubChemData

Smile

CCCCC[C@@H]1C2(CC[C@@H](O1)CC3(OCCO3)CC)SCCCS2

DOS

IR

Vibrations