Geometry & MOs

Info

ID:	179692
PubChem CID:	76519851
Reduced:	ClNO4C13H25 (1)
Stoich.:	ABC4D13E25 (1)
Weight, g/mol:	530.312089
ΔH_f, kcal/mol:	-164.57
Dipole, Da:	8.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750493
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.[Cl-]

DOS

IR

Vibrations