Geometry & MOs

Info

ID:

434822

PubChem CID:

135175782

Reduced:

N3O3F5H24C27 (1)

Stoich.:

A3B3C5D24E27 (1)

Weight, g/mol:

534.272987

ΔHf, kcal/mol:

-268.1

Dipole, Da:

6.8

IP(EA), eV:

 -8.93(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-3-[3-[2-[4-methyl-3-[2-methyl-5-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]propoxy]phenyl]phenoxy]ethoxy]propyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)NC(=O)C2(CC2)C3=C(C=C(C=C3)C(F)(F)F)F)F)C4=CN(N=C4)CC5CC5

DOS

IR

Vibrations