Geometry & MOs

Info

ID:

179637

PubChem CID:

76514635

Reduced:

N4F6O10H28C31 (1)

Stoich.:

A4B6C10D28E31 (1)

Weight, g/mol:

616.178098

ΔHf, kcal/mol:

-554.27

Dipole, Da:

7.54

IP(EA), eV:

 -9.83(-2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-carboxypropyl-[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]butanoic 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.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations