Geometry & MOs

Info

ID:	310684
PubChem CID:	126584295
Reduced:	FSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	362.090055
ΔH_f, kcal/mol:	-43.52
Dipole, Da:	2.29
IP(EA), eV:	-8.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-[4-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenyl]-1H-indole

Drug info:

PubChemData

Smile

CNCCN1CCN(CC1=O)S(=O)C2=CC=C(C=C2)C3=CNC4=C3C=CC(=C4)F

DOS

IR

Vibrations