Geometry & MOs

Info

ID:	297277
PubChem CID:	117614363
Reduced:	SO5C9H16 (1)
Stoich.:	AB5C9D16 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	-234.29
Dipole, Da:	4.01
IP(EA), eV:	-9.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aR,7R,8R,8aR)-8-butoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Drug info:

PubChemData

Smile

CCC1[C@H]([C@H](C[C@H](O1)CO)OC(=O)S)O

DOS

IR

Vibrations