Geometry & MOs

Info

ID:	232780
PubChem CID:	87576980
Reduced:	O9C14H22 (2)
Stoich.:	A9B14C22 (2)
Weight, g/mol:	496.179206
ΔH_f, kcal/mol:	-780.53
Dipole, Da:	12.08
IP(EA), eV:	-10.63(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-bis(1,2-dihydroxyethyl)-4,5,8,9-tetrahydroxy-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]non-6-enoic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)OCCOC(=O)C(=C(C(CO)O)C(CO)O)C(C(CCC(=O)O)(C(CO)O)O)O

DOS

IR

Vibrations