Geometry & MOs

Info

ID:	134442
PubChem CID:	51696392
Reduced:	O10C23H24 (1)
Stoich.:	A10B23C24 (1)
Weight, g/mol:	460.136947
ΔH_f, kcal/mol:	-350.56
Dipole, Da:	5.6
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)C(=O)C(=CO2)C3=CC=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O

DOS

IR

Vibrations