Geometry & MOs

Info

ID:	427000
PubChem CID:	135154969
Reduced:	O2N8C23H28 (1)
Stoich.:	A2B8C23D28 (1)
Weight, g/mol:	480.248504
ΔH_f, kcal/mol:	9.32
Dipole, Da:	11.09
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-propan-2-yl-3-[2-[1-[6-(1-prop-2-enoylpiperidin-4-yl)oxypyridin-3-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1COC(=O)N1C2=NC(=NC=C2)NCCC3=NC=C(C=N3)N(C)C4=CC=C(C=C4)N

DOS

IR

Vibrations