Geometry & MOs

Info

ID:	333226
PubChem CID:	127251774
Reduced:	FSO3N6C19H19 (1)
Stoich.:	ABC3D6E19F19 (1)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	-58.33
Dipole, Da:	3.83
IP(EA), eV:	-9.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-1-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations