Geometry & MOs

Info

ID:	382264
PubChem CID:	134973318
Reduced:	NO5C11H11 (2)
Stoich.:	AB5C11D11 (2)
Weight, g/mol:	490.104601
ΔH_f, kcal/mol:	-345.48
Dipole, Da:	6.91
IP(EA), eV:	-9.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3,4,5-triacetyloxy-6-(3,4-dicyanophenyl)sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@@H](C(C([C@@H](O1)OC2=CC(=C(C=C2)C#N)C#N)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations