Geometry & MOs

Info

ID:	16169
PubChem CID:	460710
Reduced:	ClSH3N4C8 (1)
Stoich.:	ABC3D4E8 (1)
Weight, g/mol:	221.976695
ΔH_f, kcal/mol:	115.72
Dipole, Da:	4.53
IP(EA), eV:	-9.64(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8-thia-3,4,5,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC3=C2N=NN=C3Cl

DOS

IR

Vibrations