Geometry & MOs

Info

ID:	54833
PubChem CID:	17389372
Reduced:	SO2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	375.078996
ΔH_f, kcal/mol:	47.84
Dipole, Da:	10.76
IP(EA), eV:	-8.01(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isoquinolin-2-ium-2-yl-5-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate

Drug info:

PubChemData

Smile

CC1=CC(=C[N+](=C1)C2=C(SC(=N2)[O-])/C=N/NC(=O)C3=CC=NC=C3)C

DOS

IR

Vibrations