Geometry & MOs

Info

ID:	53217
PubChem CID:	14709806
Reduced:	SO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	284.144616
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	4.01
IP(EA), eV:	-8.09(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-2-(methoxymethoxy)-7,7-dimethyl-1-[[(R)-prop-1-ynylsulfinyl]methyl]bicyclo[2.2.1]heptane

Drug info:

PubChemData

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CC1([C@@H]2CC[C@]1([C@@H](C2)OCOC)C[S@](=O)C=C=C)C

DOS

IR

Vibrations