Geometry & MOs

Info

ID:	427066
PubChem CID:	135155294
Reduced:	O4N7C24H31 (1)
Stoich.:	A4B7C24D31 (1)
Weight, g/mol:	481.243753
ΔH_f, kcal/mol:	-93.62
Dipole, Da:	2.81
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC=C2)NC(C)C3=CN=C(N=C3)OC4CCN(CC4)C(=O)C=C

DOS

IR

Vibrations