Geometry & MOs

Info

ID:	388719
PubChem CID:	134989990
Reduced:	BrClSH2N2C6 (1)
Stoich.:	ABCD2E2F6 (1)
Weight, g/mol:	296.953242
ΔH_f, kcal/mol:	72.8
Dipole, Da:	2.13
IP(EA), eV:	-9.68(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxy-7,8lambda4-dithia-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-8-yl) perchlorate

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1Br)Cl)SN=N2

DOS

IR

Vibrations