Geometry & MOs

Info

ID:	381655
PubChem CID:	134972453
Reduced:	NOF4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	680.198621
ΔH_f, kcal/mol:	-194.67
Dipole, Da:	3.98
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C(C(F)(F)F)F

DOS

IR

Vibrations