Geometry & MOs

Info

ID:	310668
PubChem CID:	126584208
Reduced:	SF2O2N3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	361.10604
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	5.62
IP(EA), eV:	-9.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1)S(=O)(=O)C2=C(C=C(C=C2)C3=CNC4=C3C=CC(=C4)F)F

DOS

IR

Vibrations