Geometry & MOs

Info

ID:	409646
PubChem CID:	135082428
Reduced:	HPN4 (1)
Stoich.:	ABC4 (1)
Weight, g/mol:	337.059506
ΔH_f, kcal/mol:	75.08
Dipole, Da:	3.82
IP(EA), eV:	-10.52(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanylideneprop-1-en-1-olate

Drug info:

PubChemData

Smile

N1=NPN=N1

DOS

IR

Vibrations