Geometry & MOs

Info

ID:	399210
PubChem CID:	135038749
Reduced:	PSBr3O3C10H12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-175.52
Dipole, Da:	3.74
IP(EA), eV:	-9.5(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,6R)-7,7-dimethyl-2-pent-4-enyl-3-oxatricyclo[4.1.1.02,4]octane

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)OC1=C(C=C(C=C1Br)Br)Br

DOS

IR

Vibrations