Geometry & MOs

Info

ID:	179295
PubChem CID:	76462158
Reduced:	O3H20C23 (1)
Stoich.:	A3B20C23 (1)
Weight, g/mol:	520.158076
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	4.53
IP(EA), eV:	-9.3(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-(3-phenylprop-2-enoyloxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)OC(=C1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations