Geometry & MOs

Info

ID:

45661

PubChem CID:

10516158

Reduced:

N2O2F3H10C12 (1)

Stoich.:

A2B2C3D10E12 (1)

Weight, g/mol:

270.125594

ΔHf, kcal/mol:

-140.73

Dipole, Da:

5.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.237260

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CO/C(=C(\C=C\C1=CC=C(C=C1)C(F)(F)F)/[N+]#N)/O

DOS

IR

Vibrations