Geometry & MOs

Info

ID:	220170
PubChem CID:	85165322
Reduced:	PSO10C32H57 (1)
Stoich.:	ABC10D32E57 (1)
Weight, g/mol:	664.545346
ΔH_f, kcal/mol:	-575.98
Dipole, Da:	4.49
IP(EA), eV:	-8.96(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-fluoro-10-hydroxyoctadecanoate;methyl 10-fluoro-9-hydroxyoctadecanoate

Drug info:

PubChemData

Smile

CC(OC(=O)C(C)(C)C)OP(=O)(C(CCCC=C(C)CCC=C(C)CCC=C(C)C)S(=O)(=O)O)OC(C)OC(=O)C(C)(C)C

DOS

IR

Vibrations