Geometry & MOs

Info

ID:

445539

PubChem CID:

135267832

Reduced:

Br2O2N3C20H23 (1)

Stoich.:

A2B2C3D20E23 (1)

Weight, g/mol:

655.137575

ΔHf, kcal/mol:

-31.77

Dipole, Da:

9.28

IP(EA), eV:

 -8.39(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1,1,1-trifluoro-4-[4-[3-fluoro-4-(hydroperoxymethyl)-5-methylsulfanylphenyl]-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]-4-methyliminobut-2-en-2-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C3=C(N2CC(CN/C=C(/CCCO)\N)O)C=CC(=C3)Br

DOS

IR

Vibrations