Geometry & MOs

Info

ID:	427059
PubChem CID:	135155263
Reduced:	SO3F5N5C28H32 (1)
Stoich.:	AB3C5D5E28F32 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-324.78
Dipole, Da:	8.75
IP(EA), eV:	-9.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[[(1S)-1-[4-(4-aminoanilino)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)CN2C3=C(C=C(C=C3)S(=O)(=O)NC(C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C(F)(F)F)(F)F)C=N2

DOS

IR

Vibrations