Geometry & MOs

Info

ID:	50739
PubChem CID:	12013325
Reduced:	SiO4C19H36 (1)
Stoich.:	AB4C19D36 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-226.63
Dipole, Da:	1.96
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,5R)-1-methyl-3-(2-phenylsulfanylpropan-2-yl)-2,7,8-trioxabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1[C@H](O1)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations