Geometry & MOs

Info

ID:	202682
PubChem CID:	79709616
Reduced:	BrNF3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	418.91772
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	2.36
IP(EA), eV:	-9.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-amine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CC(=C1)Br)F)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations