Geometry & MOs

Info

ID:	332784
PubChem CID:	127251094
Reduced:	ClN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	403.111439
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	5.69
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCOC(C2)C3=NC=CN=C3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations