Geometry & MOs

Info

ID:

448948

PubChem CID:

135294670

Reduced:

SN2O4H32C34 (1)

Stoich.:

AB2C4D32E34 (1)

Weight, g/mol:

666.268097

ΔHf, kcal/mol:

-41.02

Dipole, Da:

8.76

IP(EA), eV:

 -9.24(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-[2-(4-butylphenyl)-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(4-butylphenyl)methoxy]phenyl]methanimine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)S(=O)(=O)C4=CC5=C(C=C4)OC(=N5)C6=CC=C(C=C6)CCCC

DOS

IR

Vibrations