Geometry & MOs

Info

ID:	303613
PubChem CID:	124489961
Reduced:	O5C18H30 (1)
Stoich.:	A5B18C30 (1)
Weight, g/mol:	323.957036
ΔH_f, kcal/mol:	-254.48
Dipole, Da:	3.05
IP(EA), eV:	-10.09(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC[C@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CC(=O)O)O)O)O

DOS

IR

Vibrations