Geometry & MOs

Info

ID:

228683

PubChem CID:

87565536

Reduced:

SN3F6O6H23C26 (1)

Stoich.:

AB3C6D6E23F26 (1)

Weight, g/mol:

618.113351

ΔHf, kcal/mol:

-491.28

Dipole, Da:

10.66

IP(EA), eV:

 -10.01(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C(=O)N(C(=O)N1CC2=CC=NC3=CC=CC=C23)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations