Geometry & MOs

Info

ID:

377106

PubChem CID:

134223144

Reduced:

FN2O3H31C35 (1)

Stoich.:

AB2C3D31E35 (1)

Weight, g/mol:

623.229429

ΔHf, kcal/mol:

-22.76

Dipole, Da:

5.22

IP(EA), eV:

 -9.28(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(4-ethynylphenyl)-6-[2-[3-fluoro-4-[4-[5-(oxiran-2-ylmethoxy)pentylsulfanyl]phenyl]phenyl]ethynyl]naphthalen-1-yl]methanimine

Drug info:

PubChemData

Smile

C=COCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=C(C=C(C=C4)C#N)F)C=N

DOS

IR

Vibrations