Geometry & MOs

Info

ID:	427021
PubChem CID:	135155109
Reduced:	ClON5C18H20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	464.253589
ΔH_f, kcal/mol:	46.56
Dipole, Da:	3.73
IP(EA), eV:	-8.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1Cl)N2CCC(CC2)OC3=CC4=C(C=C3)N(N=C4)C

DOS

IR

Vibrations