Geometry & MOs

Info

ID:	4049
PubChem CID:	10642
Reduced:	O11H20C21 (1)
Stoich.:	A11B20C21 (1)
Weight, g/mol:	448.100561
ΔH_f, kcal/mol:	-389.87
Dipole, Da:	8.23
IP(EA), eV:	-9.02(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-4,5-dihydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O

DOS

IR

Vibrations