Geometry & MOs

Info

ID:	332786
PubChem CID:	127251210
Reduced:	FSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	7.71
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methoxyphenyl)pyrazin-2-yl]-4-(1-methylimidazol-4-yl)sulfonylmorpholine

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCOC(C2)C3=NC=CN=C3C4=CC=CC=C4F

DOS

IR

Vibrations