Geometry & MOs

Info

ID:	13035
PubChem CID:	220200
Reduced:	O7C19H20 (1)
Stoich.:	A7B19C20 (1)
Weight, g/mol:	360.120903
ΔH_f, kcal/mol:	-261.27
Dipole, Da:	1.97
IP(EA), eV:	-10.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzoyloxy-2,3,4-trihydroxypentyl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC(C(C(COC(=O)C2=CC=CC=C2)O)O)O

DOS

IR

Vibrations