Geometry & MOs

Info

ID:

49881

PubChem CID:

11534102

Reduced:

O4N5C32H35 (1)

Stoich.:

A4B5C32D35 (1)

Weight, g/mol:

553.283966

ΔHf, kcal/mol:

-103.28

Dipole, Da:

6.11

IP(EA), eV:

 -8.44(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[[3-(1-adamantyl)phenyl]methoxy]-2-fluorophenyl]methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(N1C)C(=O)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CCN(CC4)C5=CC(=O)NC=C5

DOS

IR

Vibrations