Geometry & MOs

Info

ID:	132398
PubChem CID:	51357646
Reduced:	SO11C22H28 (1)
Stoich.:	AB11C22D28 (1)
Weight, g/mol:	254.22458
ΔH_f, kcal/mol:	-465.81
Dipole, Da:	3.72
IP(EA), eV:	-9.51(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-oxaspiro[4.11]hexadecane

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)S(=O)(=O)CCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations