Geometry & MOs

Info

ID:	20969
PubChem CID:	586494
Reduced:	BrSO2H5C8 (2)
Stoich.:	ABC2D5E8 (2)
Weight, g/mol:	489.83668
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	5.31
IP(EA), eV:	-8.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,10-dibromo-9lambda6,18lambda6-dithiapentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene 9,9,18,18-tetraoxide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3C(S2(=O)=O)(C4C3(S(=O)(=O)C5=CC=CC=C45)Br)Br

DOS

IR

Vibrations