Geometry & MOs

Info

ID:	316021
PubChem CID:	126629679
Reduced:	SCl2N3O3C9H11 (1)
Stoich.:	AB2C3D3E9F11 (1)
Weight, g/mol:	295.019368
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	4.95
IP(EA), eV:	-9.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC[C@@H](C1)OC2=NC(=NC=C2Cl)Cl

DOS

IR

Vibrations