Geometry & MOs

Info

ID:	43462
PubChem CID:	10321333
Reduced:	O5C11H11 (2)
Stoich.:	A5B11C11 (2)
Weight, g/mol:	446.121297
ΔH_f, kcal/mol:	-405.98
Dipole, Da:	4.69
IP(EA), eV:	-9.94(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]([C@@H]([C@@]2(O1)C3=C(C[C@H](O2)CC(=O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC(=O)C

DOS

IR

Vibrations