Geometry & MOs

Info

ID:	179693
PubChem CID:	76519877
Reduced:	PN2O7C26H47 (1)
Stoich.:	AB2C7D26E47 (1)
Weight, g/mol:	582.330813
ΔH_f, kcal/mol:	-438.34
Dipole, Da:	6.43
IP(EA), eV:	-10.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-cyanoethyl 1-[5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2,5-dihydrofuran-2-yl]heptadecyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(C1C=CC(O1)N2CC(C(=O)NC2=O)C)OP(=O)(O)O

DOS

IR

Vibrations