Geometry & MOs

Info

ID:	228506
PubChem CID:	87565029
Reduced:	N2O9C15H24 (1)
Stoich.:	A2B9C15D24 (1)
Weight, g/mol:	494.060921
ΔH_f, kcal/mol:	-414.27
Dipole, Da:	4.65
IP(EA), eV:	-10.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(C(=O)O)NCC(=O)OC(C)(C)C(=O)O

DOS

IR

Vibrations