Geometry & MOs

Info

ID:	170504
PubChem CID:	75243165
Reduced:	S2N3O11C39H47 (1)
Stoich.:	A2B3C11D39E47 (1)
Weight, g/mol:	477.160994
ΔH_f, kcal/mol:	-238.52
Dipole, Da:	3.29
IP(EA), eV:	-8.52(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyphenyl)ethenyl]-1-methylquinolin-1-ium;4-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

CCSC(C1CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCCCOC3=C(C=CC(=C3)C4=NOC(=C4)C5=CC(=C(C(=C5)OC)OC)OC)OC)OC)SCC

DOS

IR

Vibrations