Geometry & MOs

Info

ID:	402714
PubChem CID:	135056993
Reduced:	SO2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	122.073165
ΔH_f, kcal/mol:	-113.13
Dipole, Da:	2.54
IP(EA), eV:	-8.64(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-6,7-dimethylidene-3-oxabicyclo[3.2.0]heptane

Drug info:

PubChemData

Smile

CCOC(=O)C1=CCCCC1SC(C)C

DOS

IR

Vibrations