Geometry & MOs

Info

ID:	303608
PubChem CID:	124489956
Reduced:	O3C5H6 (3)
Stoich.:	A3B5C6 (3)
Weight, g/mol:	352.079432
ΔH_f, kcal/mol:	-345.52
Dipole, Da:	7.49
IP(EA), eV:	-9.53(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(=O)O)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O

DOS

IR

Vibrations