Geometry & MOs

Info

ID:	226523
PubChem CID:	87457748
Reduced:	NaSO3C5H9 (1)
Stoich.:	ABC3D5E9 (1)
Weight, g/mol:	451.03691
ΔH_f, kcal/mol:	-184.18
Dipole, Da:	7.81
IP(EA), eV:	-9.02(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloroquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(CC(C(=O)[O-])O)S.[Na+]

DOS

IR

Vibrations