Geometry & MOs

Info

ID:	385158
PubChem CID:	134978420
Reduced:	PSN2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	292.113316
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	3.52
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1CN=C(S1)N(C2=CC=CC=C2)P(=O)(C)OC3=CC=CC=C3

DOS

IR

Vibrations