Geometry & MOs

Info

ID:	50850
PubChem CID:	12013439
Reduced:	HBr3S3C8 (1)
Stoich.:	AB3C3D8 (1)
Weight, g/mol:	273.85803
ΔH_f, kcal/mol:	99.87
Dipole, Da:	1.15
IP(EA), eV:	-8.81(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(SC2=C1C3=C(S2)SC(=C3Br)Br)Br

DOS

IR

Vibrations