Geometry & MOs

Info

ID:	427031
PubChem CID:	135155135
Reduced:	NSF3O4C10H12 (1)
Stoich.:	ABC3D4E10F12 (1)
Weight, g/mol:	481.243753
ΔH_f, kcal/mol:	-309.52
Dipole, Da:	2.8
IP(EA), eV:	-9.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-3-[2-[1-[2-(1-prop-2-enoylpiperidin-4-yl)oxypyrimidin-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)C(F)(F)F)CCOS(=O)(=O)C

DOS

IR

Vibrations