Geometry & MOs

Info

ID:	188588
PubChem CID:	77739256
Reduced:	NPO8C14H18 (1)
Stoich.:	ABC8D14E18 (1)
Weight, g/mol:	568.280946
ΔH_f, kcal/mol:	-392.79
Dipole, Da:	6.8
IP(EA), eV:	-9.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-[2-(2-acetylpiperazin-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide;2-oxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

C1CN(C(=O)C2=CC=CC=C21)C3C(C(C(O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations