Geometry & MOs

Info

ID:

179636

PubChem CID:

76514634

Reduced:

SF3O3N5C21H22 (1)

Stoich.:

AB3C3D5E21F22 (1)

Weight, g/mol:

730.170962

ΔHf, kcal/mol:

-182.7

Dipole, Da:

9.53

IP(EA), eV:

 -9.39(-1.43)

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;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CC(CN1C2=NC(=NC=C2)C#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations