Geometry & MOs

Info

ID:	310640
PubChem CID:	126584080
Reduced:	FN2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	458.17879
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	1.52
IP(EA), eV:	-9.4(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)propyl]-4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC(=C2N1)[N+](=O)[O-])F)CCC(=O)O

DOS

IR

Vibrations