Geometry & MOs

Info

ID:	13018
PubChem CID:	219994
Reduced:	O11C12H22 (1)
Stoich.:	A11B12C22 (1)
Weight, g/mol:	342.116212
ΔH_f, kcal/mol:	-490.65
Dipole, Da:	4.32
IP(EA), eV:	-10.36(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations