Geometry & MOs

Info

ID:	229087
PubChem CID:	87566922
Reduced:	NSO4C22H37 (1)
Stoich.:	ABC4D22E37 (1)
Weight, g/mol:	576.0664
ΔH_f, kcal/mol:	-177.96
Dipole, Da:	6.48
IP(EA), eV:	-9.59(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(5R)-5-methyl-2,4-dioxo-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-ium-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCS(=O)(=O)O

DOS

IR

Vibrations