Geometry & MOs

Info

ID:	78382
PubChem CID:	49689316
Reduced:	FSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-67.61
Dipole, Da:	0.76
IP(EA), eV:	-9.25(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1-phenyl-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)CSC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations