Geometry & MOs

Info

ID:	383639
PubChem CID:	134975478
Reduced:	NS2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	292.016262
ΔH_f, kcal/mol:	47.17
Dipole, Da:	3.87
IP(EA), eV:	-8.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-5,6lambda4,7-trithia-3-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3-trien-4-amine

Drug info:

PubChemData

Smile

CN1C=CC2=S1SC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations