Geometry & MOs

Info

ID:

228590

PubChem CID:

87565372

Reduced:

S2N3O4F6H19C27 (1)

Stoich.:

A2B3C4D6E19F27 (1)

Weight, g/mol:

626.064292

ΔHf, kcal/mol:

-380.43

Dipole, Da:

8.06

IP(EA), eV:

 -8.94(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)C[C@@H]3C(=O)N(C(=O)N3CC4=CC=NC=C4)C5=CC=C(C=C5)SC(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations