Geometry & MOs

Info

ID:	15501
PubChem CID:	442813
Reduced:	O9C22H22 (1)
Stoich.:	A9B22C22 (1)
Weight, g/mol:	430.126382
ΔH_f, kcal/mol:	-316.6
Dipole, Da:	4.14
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations