Geometry & MOs

Info

ID:	82547
PubChem CID:	49856164
Reduced:	O8C19H20 (1)
Stoich.:	A8B19C20 (1)
Weight, g/mol:	432.058789
ΔH_f, kcal/mol:	-296.29
Dipole, Da:	7.74
IP(EA), eV:	-9.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4-[3-chloro-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O

DOS

IR

Vibrations