Geometry & MOs

Info

ID:

229287

PubChem CID:

87567332

Reduced:

SN3F6O6H21C29 (1)

Stoich.:

AB3C6D6E21F29 (1)

Weight, g/mol:

652.097701

ΔHf, kcal/mol:

-448.2

Dipole, Da:

12.83

IP(EA), eV:

 -9.84(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2C(=O)N(C(=O)N2CC3=CC=NC4=CC=CC=C34)C5=CC=C(C=C5)S(=O)(=O)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations