Geometry & MOs

Info

ID:	303583
PubChem CID:	124489930
Reduced:	O5C20H32 (1)
Stoich.:	A5B20C32 (1)
Weight, g/mol:	235.069202
ΔH_f, kcal/mol:	-228.11
Dipole, Da:	7.0
IP(EA), eV:	-9.19(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S,6R)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C[C@H]2[C@H]1C/C(=C/CCCC(=O)O)/O2)O)O

DOS

IR

Vibrations