Geometry & MOs

Info

ID:	404094
PubChem CID:	135064954
Reduced:	BrOF3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	427.091201
ΔH_f, kcal/mol:	-249.66
Dipole, Da:	5.69
IP(EA), eV:	-10.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]propylsulfonyl]pyridine

Drug info:

PubChemData

Smile

C(CCCC(=O)CCCC(F)(F)F)CCCBr

DOS

IR

Vibrations