Geometry & MOs

Info

ID:	4097
PubChem CID:	10751
Reduced:	O9C15H16 (1)
Stoich.:	A9B15C16 (1)
Weight, g/mol:	340.079432
ΔH_f, kcal/mol:	-328.47
Dipole, Da:	6.95
IP(EA), eV:	-9.27(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-6-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-one

Drug info:

PubChemData

Smile

C1=C2C=C(C(=O)C=C2OC(=C1)O)O[C@H]3C(C([C@@H](C(O3)CO)O)O)O

DOS

IR

Vibrations