Geometry & MOs

Info

ID:	390964
PubChem CID:	135001902
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	536.238516
ΔH_f, kcal/mol:	-134.88
Dipole, Da:	3.48
IP(EA), eV:	-8.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-methoxyphenyl)methyl]-4-(4-tritylsulfanylbut-1-enyl)-1,3-dioxane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@@H]2OCCC(O2)C=O

DOS

IR

Vibrations