Geometry & MOs

Info

ID:	427013
PubChem CID:	135155021
Reduced:	ClNOF3H7C8 (1)
Stoich.:	ABCD3E7F8 (1)
Weight, g/mol:	448.233522
ΔH_f, kcal/mol:	-189.98
Dipole, Da:	4.05
IP(EA), eV:	-10.43(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[2-[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(C1=C(C=CC(=N1)C(F)(F)F)Cl)O

DOS

IR

Vibrations