Geometry & MOs

Info

ID:	9769
PubChem CID:	93136
Reduced:	O11C20H20 (1)
Stoich.:	A11B20C20 (1)
Weight, g/mol:	436.100561
ΔH_f, kcal/mol:	-391.66
Dipole, Da:	11.55
IP(EA), eV:	-9.14(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-4,5-dihydroxy-3-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentoxy]chromen-7-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC[C@H]([C@@H]([C@@H](CO)O)O)O)O)O

DOS

IR

Vibrations