Geometry & MOs

Info

ID:	303609
PubChem CID:	124489957
Reduced:	O9C16H16 (1)
Stoich.:	A9B16C16 (1)
Weight, g/mol:	320.089603
ΔH_f, kcal/mol:	-351.25
Dipole, Da:	2.4
IP(EA), eV:	-9.66(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-naphthalen-1-yloxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O

DOS

IR

Vibrations