Geometry & MOs

Info

ID:	316020
PubChem CID:	126629676
Reduced:	Cl2O2F3N3H6C9 (1)
Stoich.:	A2B2C3D3E6F9 (1)
Weight, g/mol:	310.989818
ΔH_f, kcal/mol:	-179.51
Dipole, Da:	3.9
IP(EA), eV:	-10.16(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C(F)(F)F)OC2=NC(=NC=C2Cl)Cl

DOS

IR

Vibrations