Geometry & MOs

Info

ID:	69412
PubChem CID:	47169973
Reduced:	ClSN4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	320.989424
ΔH_f, kcal/mol:	79.7
Dipole, Da:	3.22
IP(EA), eV:	-8.51(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8-[(6-chloropyridazin-3-yl)sulfanylmethyl]quinoline

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC2=C3C(=CC(=C2)Cl)C=CC=N3

DOS

IR

Vibrations