Geometry & MOs

Info

ID:	20945
PubChem CID:	586337
Reduced:	SO2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	246.071451
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	5.75
IP(EA), eV:	-9.17(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=CC(=O)O2)SC3=CC=CC=C3

DOS

IR

Vibrations