Geometry & MOs

Info

ID:	155215
PubChem CID:	56322739
Reduced:	FSO3N4H21C23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	414.04582
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	7.06
IP(EA), eV:	-9.41(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations