Geometry & MOs

Info

ID:	12420
PubChem CID:	137383
Reduced:	O8C11H18 (1)
Stoich.:	A8B11C18 (1)
Weight, g/mol:	278.100168
ΔH_f, kcal/mol:	-373.95
Dipole, Da:	1.31
IP(EA), eV:	-10.91(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methylbutanoyloxy)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations