Geometry & MOs

Info

ID:	383414
PubChem CID:	134975120
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	458.03751
ΔH_f, kcal/mol:	-5.42
Dipole, Da:	4.94
IP(EA), eV:	-8.64(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-4,5-diacetyloxy-2-(acetylsulfanylmethyl)-6-methylsulfonylsulfanyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1CCN2CC3C[C@H]([C@@H]2C1)C(=O)N4C3CCCC4

DOS

IR

Vibrations