Geometry & MOs

Info

ID:	9168
PubChem CID:	86933
Reduced:	O5C6H11 (2)
Stoich.:	A5B6C11 (2)
Weight, g/mol:	326.121297
ΔH_f, kcal/mol:	-444.66
Dipole, Da:	5.73
IP(EA), eV:	-10.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O

DOS

IR

Vibrations