Geometry & MOs

Info

ID:	11361
PubChem CID:	114684
Reduced:	O9H20C21 (1)
Stoich.:	A9B20C21 (1)
Weight, g/mol:	416.110732
ΔH_f, kcal/mol:	-312.07
Dipole, Da:	8.95
IP(EA), eV:	-9.25(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=COC3=C(C(=O)C=CC3=C2O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

DOS

IR

Vibrations