Geometry & MOs

Info

ID:	441955
PubChem CID:	135247052
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	495.207053
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	2.56
IP(EA), eV:	-9.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-fluoro-4-[3-(2-quinolin-6-ylbutan-2-yl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(=C1S(=O)(=O)OC)C=NC

DOS

IR

Vibrations