Geometry & MOs

Info

ID:	316024
PubChem CID:	126629682
Reduced:	Cl2O2F3N3H10C11 (1)
Stoich.:	A2B2C3D3E10F11 (1)
Weight, g/mol:	280.019703
ΔH_f, kcal/mol:	-208.21
Dipole, Da:	4.79
IP(EA), eV:	-9.82(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C(F)(F)F)OC2=NC(=NC=C2Cl)Cl

DOS

IR

Vibrations