Geometry & MOs

Info

ID:	393834
PubChem CID:	135021802
Reduced:	O6C11H14 (1)
Stoich.:	A6B11C14 (1)
Weight, g/mol:	454.07561
ΔH_f, kcal/mol:	-180.12
Dipole, Da:	3.3
IP(EA), eV:	-10.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6aS)-6-(4-methylphenyl)sulfonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O1)O[C@H]3[C@]24[C@H](CC(=O)O4)OC3)C

DOS

IR

Vibrations