Geometry & MOs

Info

ID:	14180
PubChem CID:	405896
Reduced:	S2N3C9H9 (1)
Stoich.:	A2B3C9D9 (1)
Weight, g/mol:	223.02379
ΔH_f, kcal/mol:	50.84
Dipole, Da:	4.89
IP(EA), eV:	-8.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-10-thiol

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=NC(=NC(=C23)N)S

DOS

IR

Vibrations