Geometry & MOs

Info

ID:	7491
PubChem CID:	73123
Reduced:	O10H20C21 (1)
Stoich.:	A10B20C21 (1)
Weight, g/mol:	432.105647
ΔH_f, kcal/mol:	-352.8
Dipole, Da:	12.09
IP(EA), eV:	-8.88(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C3C(=CC(=CC3=O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O2)O)O

DOS

IR

Vibrations