Geometry & MOs

Info

ID:	50851
PubChem CID:	12013440
Reduced:	BrH3S3C8 (1)
Stoich.:	AB3C3D8 (1)
Weight, g/mol:	353.76649
ΔH_f, kcal/mol:	81.7
Dipole, Da:	0.25
IP(EA), eV:	-8.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,11-dibromo-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

Drug info:

PubChemData

Smile

C1=CSC2=C1C3=C(S2)SC=C3Br

DOS

IR

Vibrations