Geometry & MOs

Info

ID:	7506
PubChem CID:	73160
Reduced:	O6H14C15 (1)
Stoich.:	A6B14C15 (1)
Weight, g/mol:	290.079038
ΔH_f, kcal/mol:	-222.54
Dipole, Da:	0.66
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

DOS

IR

Vibrations