Geometry & MOs

Info

ID:	332723
PubChem CID:	127251033
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	428.185983
ΔH_f, kcal/mol:	-2.09
Dipole, Da:	1.85
IP(EA), eV:	-9.05(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations