Geometry & MOs

Info

ID:	310685
PubChem CID:	126584296
Reduced:	SF2N2O2H16C18 (1)
Stoich.:	AB2C2D2E16F18 (1)
Weight, g/mol:	373.126026
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	6.0
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)S(=O)(=O)C2=CC=C(C=C2)C3=CNC4=C3C=CC(=C4)F

DOS

IR

Vibrations