Geometry & MOs

Info

ID:	202631
PubChem CID:	79701962
Reduced:	BrNSF4H8C13 (1)
Stoich.:	ABCD4E8F13 (1)
Weight, g/mol:	335.99836
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	0.94
IP(EA), eV:	-9.34(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-5-fluorophenyl)methylsulfanyl]-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(F)(F)F)SCC2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations