Geometry & MOs

Info

ID:

445533

PubChem CID:

135267722

Reduced:

SN3O5F7H26C32 (1)

Stoich.:

AB3C5D7E26F32 (1)

Weight, g/mol:

583.02107

ΔHf, kcal/mol:

-434.23

Dipole, Da:

8.71

IP(EA), eV:

 -8.75(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]imino-1-(2-methyl-1,3-dithiolan-2-yl)prop-1-en-1-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(=C(C(=C4)S(=O)(=O)C)CO)F)N=C(/C=C(/C(F)(F)F)\N)C5CC5

DOS

IR

Vibrations