Geometry & MOs

Info

ID:	176952
PubChem CID:	76116587
Reduced:	F2O3N4H24C25 (1)
Stoich.:	A2B3C4D24E25 (1)
Weight, g/mol:	486.355654
ΔH_f, kcal/mol:	-151.64
Dipole, Da:	1.55
IP(EA), eV:	-9.68(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-2-(2-hydroxy-1-propanoyloxyethyl)oxolan-3-yl] octadecanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CC(=O)N3CC4=C(CC3C2=O)C=CC(=C4)OC(C5=NC=C(C=C5)C#N)(F)F

DOS

IR

Vibrations