Geometry & MOs

Info

ID:	310666
PubChem CID:	126584200
Reduced:	FSO5N6C27H35 (1)
Stoich.:	ABC5D6E27F35 (1)
Weight, g/mol:	273.062363
ΔH_f, kcal/mol:	-169.05
Dipole, Da:	2.76
IP(EA), eV:	-8.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-(4-methylsulfinylphenyl)-1H-indole

Drug info:

PubChemData

Smile

CCOC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)[C@@]3([C@@H]4CCN=[S@]4(=O)C(C(=N3)NC(=O)OC(C)(C)C)(C)C)C

DOS

IR

Vibrations