Geometry & MOs

Info

ID:	132397
PubChem CID:	51356807
Reduced:	ON4F6H8C16 (1)
Stoich.:	AB4C6D8E16 (1)
Weight, g/mol:	500.135233
ΔH_f, kcal/mol:	-240.07
Dipole, Da:	4.94
IP(EA), eV:	-8.8(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C3=C(NN4C3=NC(=CC4=O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations