Geometry & MOs

Info

ID:	310117
PubChem CID:	126574792
Reduced:	SN2O2F4H12C16 (1)
Stoich.:	AB2C2D4E12F16 (1)
Weight, g/mol:	289.057278
ΔH_f, kcal/mol:	-203.68
Dipole, Da:	4.03
IP(EA), eV:	-9.66(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-(4-methylsulfonylphenyl)-7H-indole

Drug info:

PubChemData

Smile

C1C(=CC=C2C1=NC=C2C3=CC(=C(C=C3)S(=O)(=O)N)CC(F)(F)F)F

DOS

IR

Vibrations