Geometry & MOs

Info

ID:	427065
PubChem CID:	135155292
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	481.243753
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	4.89
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-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=C2C(=C1)C3=C(CCC3)C(=N2)Cl)OCCCN4CCCC4

DOS

IR

Vibrations