Geometry & MOs

Info

ID:

43319

PubChem CID:

10321118

Reduced:

O4C12H13 (2)

Stoich.:

A4B12C13 (2)

Weight, g/mol:

442.198079

ΔHf, kcal/mol:

-256.54

Dipole, Da:

5.75

IP(EA), eV:

 -8.55(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-[2-(18F)fluoranyl-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(=O)C(=C1C2=C(C=CC(=C2)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations