Geometry & MOs

Info

ID:	383530
PubChem CID:	134975300
Reduced:	NSO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	674.205814
ΔH_f, kcal/mol:	-83.47
Dipole, Da:	3.87
IP(EA), eV:	-9.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-4,5-diacetyloxy-6-prop-2-ynoxy-3-[(2S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=NC=CS1)/COC(=O)C

DOS

IR

Vibrations