Geometry & MOs

Info

ID:

448731

PubChem CID:

135293070

Reduced:

SO3F4N4H16C21 (1)

Stoich.:

AB3C4D4E16F21 (1)

Weight, g/mol:

585.182159

ΔHf, kcal/mol:

-192.51

Dipole, Da:

12.3

IP(EA), eV:

 -9.33(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[7-[(2E,4E)-5-cyano-5-(methylamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(2-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CN(C1=CC(=C(N=C1)C#N)C(F)(F)F)C(=O)C2(CCC2)N(C=S)C3=CC(=C(C=C3)C(=O)O)F

DOS

IR

Vibrations