Geometry & MOs

Info

ID:	402929
PubChem CID:	135057900
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	551.148634
ΔH_f, kcal/mol:	-156.25
Dipole, Da:	1.43
IP(EA), eV:	-10.37(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[C@H](CC(=O)C)OC=O

DOS

IR

Vibrations