Geometry & MOs

Info

ID:	310635
PubChem CID:	126584061
Reduced:	ClN2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	417.115855
ΔH_f, kcal/mol:	-71.42
Dipole, Da:	10.4
IP(EA), eV:	-9.36(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-1-(2-hydroxyethyl)piperazin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=C(C=C2[N+](=O)[O-])Cl)CCC(=O)O

DOS

IR

Vibrations