Geometry & MOs

Info

ID:	333210
PubChem CID:	127251758
Reduced:	FSO3N6H17C18 (1)
Stoich.:	ABC3D6E17F18 (1)
Weight, g/mol:	330.144038
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	4.77
IP(EA), eV:	-9.13(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations