Geometry & MOs

Info

ID:	7369
PubChem CID:	72282
Reduced:	O2H4C5 (3)
Stoich.:	A2B4C5 (3)
Weight, g/mol:	288.063388
ΔH_f, kcal/mol:	-200.03
Dipole, Da:	5.07
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3)O)O)O)O

DOS

IR

Vibrations