Geometry & MOs

Info

ID:

181330

PubChem CID:

76730985

Reduced:

FN2O6H31C32 (1)

Stoich.:

AB2C6D31E32 (1)

Weight, g/mol:

539.270315

ΔHf, kcal/mol:

-187.98

Dipole, Da:

5.25

IP(EA), eV:

 -9.04(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-ethylphenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(C(C)(C(=O)N2C(C(OC2=O)(C)C)C3=CC=CC=C3)OCC4=CC=C(C=C4)C5=CC=C(C=C5)F)O

DOS

IR

Vibrations