Geometry & MOs

Info

ID:	178444
PubChem CID:	76331306
Reduced:	BrClSN2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	226.062994
ΔH_f, kcal/mol:	29.38
Dipole, Da:	3.21
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=N2)NCCBr

DOS

IR

Vibrations