Geometry & MOs

Info

ID:	332787
PubChem CID:	127251211
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	419.081888
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	6.92
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)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=C(C=C4)OC

DOS

IR

Vibrations