Geometry & MOs

Info

ID:	164582
PubChem CID:	74420017
Reduced:	N3O4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	326.067916
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	4.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756435
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(C2C(C([NH2+]1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C)C(=O)OCC

DOS

IR

Vibrations