Geometry & MOs

Info

ID:	333220
PubChem CID:	127251768
Reduced:	FSO3N6C19H19 (1)
Stoich.:	ABC3D6E19F19 (1)
Weight, g/mol:	316.128388
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	4.97
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations