Geometry & MOs

Info

ID:	380255
PubChem CID:	134970640
Reduced:	NSO9C15H19 (1)
Stoich.:	ABC9D15E19 (1)
Weight, g/mol:	481.104267
ΔH_f, kcal/mol:	-371.72
Dipole, Da:	3.35
IP(EA), eV:	-9.33(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@H](O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations