Geometry & MOs

Info

ID:	223427
PubChem CID:	85335029
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	348.096894
ΔH_f, kcal/mol:	-6.27
Dipole, Da:	9.42
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-5-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCN(CC2)CC3C4=C(CCCN4)C(=O)N=N3

DOS

IR

Vibrations