Geometry & MOs

Info

ID:	82656
PubChem CID:	49856291
Reduced:	F3N3O6H26C33 (1)
Stoich.:	A3B3C6D26E33 (1)
Weight, g/mol:	664.55525
ΔH_f, kcal/mol:	-253.54
Dipole, Da:	7.12
IP(EA), eV:	-9.49(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-di((113C)decanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(C(=O)N([C@@H]2C3=CC=C(C=C3)OC(F)(F)F)C4=NN=C(C=C4)C)O[C@@H](C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations