Geometry & MOs

Info

ID:

179638

PubChem CID:

76514636

Reduced:

F3N4O8H27C29 (1)

Stoich.:

A3B4C8D27E29 (1)

Weight, g/mol:

658.149833

ΔHf, kcal/mol:

-318.65

Dipole, Da:

6.35

IP(EA), eV:

 -9.61(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-hydroxy-7-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-chromen-3-yl]amino]pentanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1C(C(C2=C(O1)C=C(C=C2)C3=NOC(=N3)C4=C(C(=NO4)C5=CC=CC=C5)C(F)(F)F)O)N(CCCC(=O)O)CCCC(=O)O

DOS

IR

Vibrations