Geometry & MOs

Info

ID:	51945
PubChem CID:	12014716
Reduced:	NOSH13C16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	504.09662
ΔH_f, kcal/mol:	42.75
Dipole, Da:	2.69
IP(EA), eV:	-8.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenoxy-8-[(4-phenoxyquinolin-8-yl)disulfanyl]quinoline

Drug info:

PubChemData

Smile

CSC1=CC=CC2=C(C=CN=C21)OC3=CC=CC=C3

DOS

IR

Vibrations