Geometry & MOs

Info

ID:	134336
PubChem CID:	51682941
Reduced:	NSO5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	482.15366
ΔH_f, kcal/mol:	-182.71
Dipole, Da:	4.87
IP(EA), eV:	-9.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,3S,4R,5R,6R)-2,5-diacetyloxy-6-(acetyloxymethyl)-3-(pyridine-3-carbonylamino)oxan-4-yl]oxyacetate

Drug info:

PubChemData

Smile

CC[C@H]1CN(CCO1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations