Geometry & MOs

Info

ID:

226476

PubChem CID:

87457458

Reduced:

SN3F9O9H20C26 (1)

Stoich.:

AB3C9D9E20F26 (1)

Weight, g/mol:

721.077654

ΔHf, kcal/mol:

-764.1

Dipole, Da:

11.32

IP(EA), eV:

 -10.02(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-(1-hydroxyethyl)-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C[C@H](C1C(=O)N(C(=O)N1CC2=CC=NC3=CC=CC=C23)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations