Geometry & MOs

Info

ID:	188913
PubChem CID:	77783933
Reduced:	O3C32H42 (1)
Stoich.:	A3B32C42 (1)
Weight, g/mol:	426.116212
ΔH_f, kcal/mol:	-145.46
Dipole, Da:	1.91
IP(EA), eV:	-8.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(2-phenyl-1,3-dioxolan-4-yl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCCC1CC2C3CCC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations