Geometry & MOs

Info

ID:

445535

PubChem CID:

135267740

Reduced:

SF3N4O5H29C32 (1)

Stoich.:

AB3C4D5E29F32 (1)

Weight, g/mol:

605.140768

ΔHf, kcal/mol:

-227.31

Dipole, Da:

8.48

IP(EA), eV:

 -8.91(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=C(C=CC(=C2)C3=CC(=C(C=C3)CO)S(=O)(=O)C)N=C/C=C(/C(C)(C)C#N)\N)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations