Geometry & MOs

Info

ID:	402236
PubChem CID:	135055105
Reduced:	BrSF3O3H16C22 (1)
Stoich.:	ABC3D3E16F22 (1)
Weight, g/mol:	447.294474
ΔH_f, kcal/mol:	-195.26
Dipole, Da:	6.65
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(E)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]phenoxy]ethyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C(/C2=CC=C(C=C2)C3=CC=CC=C3)\Br)/C(F)(F)F

DOS

IR

Vibrations