Geometry & MOs

Info

ID:	127544
PubChem CID:	51005736
Reduced:	SO2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	0.79
IP(EA), eV:	-8.88(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,5S,6S)-6-methylbicyclo[3.3.1]non-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(C[C@H]2C[C@@H]1C=C2)SC3=CC=CC=C3

DOS

IR

Vibrations