Geometry & MOs

Info

ID:	134331
PubChem CID:	51681948
Reduced:	ClSO2N3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	267.070443
ΔH_f, kcal/mol:	-45.56
Dipole, Da:	1.54
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,4-diamino-3-naphthalen-2-yl-1,3-thiazol-3-ium-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCCN1CC2=C(SN=N2)Cl

DOS

IR

Vibrations