Geometry & MOs

Info

ID:	227074
PubChem CID:	87560061
Reduced:	BrClNO13C20H25 (1)
Stoich.:	ABCD13E20F25 (1)
Weight, g/mol:	248.98387
ΔH_f, kcal/mol:	-537.34
Dipole, Da:	3.13
IP(EA), eV:	-8.53(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;2-chloroquinoline-3-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2[C@]3([C@H]([C@H](O[C@@]([C@@]3(O)Cl)(CO)Br)O[C@@]4([C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O

DOS

IR

Vibrations