Geometry & MOs

Info

ID:	310683
PubChem CID:	126584292
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	414.152575
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	3.49
IP(EA), eV:	-8.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfinyl-1-[2-(methylamino)ethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C)C(=CC=C2)C3=CC=NC=C3)CCC(=O)O

DOS

IR

Vibrations