Geometry & MOs

Info

ID:	50847
PubChem CID:	12013436
Reduced:	SN2O3H24C27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	353.76649
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	8.81
IP(EA), eV:	-8.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,10-dibromo-5,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(C)CC(=O)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations