Geometry & MOs

Info

ID:

187445

PubChem CID:

77572286

Reduced:

O4N8C31H36 (1)

Stoich.:

A4B8C31D36 (1)

Weight, g/mol:

798.31048

ΔHf, kcal/mol:

-56.81

Dipole, Da:

4.49

IP(EA), eV:

 -9.27(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-ethyl-4-(iodomethyl)-2-(4-propan-2-ylphenyl)-1,3-oxazole;2-[[3-[[5-ethyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC#CCN1C2C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=C(C5=CC=CC=C5C=N4)C#N)C

DOS

IR

Vibrations