Geometry & MOs

Info

ID:	402564
PubChem CID:	135056404
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	342.116212
ΔH_f, kcal/mol:	-47.02
Dipole, Da:	5.54
IP(EA), eV:	-10.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(C(=NC(=O)C2C#N)[O-])C#N.[NH4+]

DOS

IR

Vibrations