Geometry & MOs

Info

ID:

169219

PubChem CID:

75076281

Reduced:

SN8O10C57H64 (1)

Stoich.:

AB8C10D57E64 (1)

Weight, g/mol:

342.126737

ΔHf, kcal/mol:

-334.68

Dipole, Da:

8.65

IP(EA), eV:

 -8.23(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(3-ethoxy-3-oxoprop-1-enyl)-5-fluoro-4-phenylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CS)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)O

DOS

IR

Vibrations