Geometry & MOs

Info

ID:

448949

PubChem CID:

135294682

Reduced:

NOF3H18C19 (2)

Stoich.:

ABC3D18E19 (2)

Weight, g/mol:

710.257927

ΔHf, kcal/mol:

-283.03

Dipole, Da:

7.28

IP(EA), eV:

 -9.12(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-2-butyl-4-[5-[1,1,1,3,3,3-hexafluoro-2-[(2E)-2-(3-hexyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]propan-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(C3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)CCCC)(C(F)(F)F)C(F)(F)F)N=C

DOS

IR

Vibrations