Geometry & MOs

Info

ID:

229036

PubChem CID:

87566820

Reduced:

SF3N3O5C18H18 (1)

Stoich.:

AB3C3D5E18F18 (1)

Weight, g/mol:

585.155014

ΔHf, kcal/mol:

-310.3

Dipole, Da:

2.67

IP(EA), eV:

 -9.62(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-[3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenyl]-5,5-dimethyl-2,4-dioxo-1-(pyridin-4-ylmethyl)imidazolidin-1-ium-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C2=NC3=C(CCN(CC3)C(=O)O)C(=N2)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations