Geometry & MOs

Info

ID:	19068
PubChem CID:	554088
Reduced:	F6O6C23H36 (1)
Stoich.:	A6B6C23D36 (1)
Weight, g/mol:	522.241608
ΔH_f, kcal/mol:	-637.72
Dipole, Da:	5.15
IP(EA), eV:	-9.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9,10-bis[(2,2,2-trifluoroacetyl)oxy]octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCC(C(CCCCCCCC(=O)OC)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations