Geometry & MOs

Info

ID:	333209
PubChem CID:	127251757
Reduced:	SO3N6C18H18 (1)
Stoich.:	AB3C6D18E18 (1)
Weight, g/mol:	416.106688
ΔH_f, kcal/mol:	2.54
Dipole, Da:	6.22
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=CC=CC=C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations