Geometry & MOs

Info

ID:

445544

PubChem CID:

135267859

Reduced:

SF3N4O5H25C28 (1)

Stoich.:

AB3C4D5E25F28 (1)

Weight, g/mol:

619.120033

ΔHf, kcal/mol:

-255.7

Dipole, Da:

7.96

IP(EA), eV:

 -8.52(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-4-[2-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-5-yl]-4-(3-methylsulfonylphenyl)phenyl]imino-1,1,1-trifluoropent-2-en-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=CC=C(C=C2)OC(F)(F)F)C3=C(C=CC(=C3)C4=CC(=CC=C4)S(=O)(=O)C)NCCC(=N)C(=O)N

DOS

IR

Vibrations