Geometry & MOs

Info

ID:	382352
PubChem CID:	134973444
Reduced:	N2O11C24H26 (1)
Stoich.:	A2B11C24D26 (1)
Weight, g/mol:	546.140712
ΔH_f, kcal/mol:	-399.78
Dipole, Da:	4.86
IP(EA), eV:	-9.87(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-3,4,5-triacetyloxy-6-[2-(4-methylphenyl)sulfonyloxyethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCCOC2=CC(=C(C=C2)C#N)C#N)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations