Geometry & MOs

Info

ID:	220580
PubChem CID:	85197872
Reduced:	OC5H7 (4)
Stoich.:	AB5C7 (4)
Weight, g/mol:	332.054087
ΔH_f, kcal/mol:	-178.26
Dipole, Da:	7.35
IP(EA), eV:	-9.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[1,3-dithiolane-2,17'-13,14-dioxaheptacyclo[10.2.2.12,8.02,11.03,7.04,11.05,9]heptadec-15-ene]-10'-one

Drug info:

PubChemData

Smile

CC1C(C(=O)C=C(C12CC(CC2OC(=O)C=C(C)C)C(=C)C)C)O

DOS

IR

Vibrations