Geometry & MOs

Info

ID:	231752
PubChem CID:	87574592
Reduced:	S2O5F9C36H41 (1)
Stoich.:	A2B5C9D36E41 (1)
Weight, g/mol:	3479.030324
ΔH_f, kcal/mol:	-606.56
Dipole, Da:	16.78
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5,6,6,7,7,8,8,8-undecakis[[(Z)-octadec-9-enoyl]oxy]octan-3-yl (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCOC=C)C)S(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations