Geometry & MOs

Info

ID:	226697
PubChem CID:	87556927
Reduced:	BrNF2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	345.928435
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	9.15
IP(EA), eV:	-8.92(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(disulfanyl)-2-[2-(disulfanyl)phenyl]sulfonylbenzene

Drug info:

PubChemData

Smile

CC12CCCC1C(=C3C=C(C(=O)C(=C3)F)F)C(=C2NO)Br

DOS

IR

Vibrations