Geometry & MOs

Info

ID:	310667
PubChem CID:	126584205
Reduced:	FNOSH12C15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	377.100954
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	2.7
IP(EA), eV:	-8.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-(3-fluoro-4-piperazin-1-ylsulfonylphenyl)-1H-indole

Drug info:

PubChemData

Smile

CS(=O)C1=CC=C(C=C1)C2=CNC3=C2C=CC(=C3)F

DOS

IR

Vibrations