Geometry & MOs

Info

ID:	427033
PubChem CID:	135155149
Reduced:	ClNOF3H7C8 (1)
Stoich.:	ABCD3E7F8 (1)
Weight, g/mol:	449.181152
ΔH_f, kcal/mol:	-190.25
Dipole, Da:	3.04
IP(EA), eV:	-10.53(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1C(F)(F)F)CCO)Cl

DOS

IR

Vibrations