Geometry & MOs

Info

ID:	426998
PubChem CID:	135154964
Reduced:	SO4N6C33H38 (1)
Stoich.:	AB4C6D33E38 (1)
Weight, g/mol:	448.233522
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	6.43
IP(EA), eV:	-8.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-[5-(4-amino-N-methylanilino)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC3=C2SC=C3)NCCC4=CC=C(C=C4)CN5CCN(CC5)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations