Geometry & MOs

Info

ID:	11377
PubChem CID:	114851
Reduced:	O7C16H16 (1)
Stoich.:	A7B16C16 (1)
Weight, g/mol:	320.089603
ΔH_f, kcal/mol:	-254.74
Dipole, Da:	4.83
IP(EA), eV:	-8.75(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

DOS

IR

Vibrations