Geometry & MOs

Info

ID:

168528

PubChem CID:

74982900

Reduced:

FN5O5C21H22 (1)

Stoich.:

AB5C5D21E22 (1)

Weight, g/mol:

515.115164

ΔHf, kcal/mol:

-144.73

Dipole, Da:

7.71

IP(EA), eV:

 -9.11(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-[5-(4-carbamimidoylphenoxy)carbonylfuran-2-yl]-2-methylprop-2-enoyl]amino]-3-hydroxypropanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN(CCO)C1=CC(=NC\2=C1NC(=N/C2=C\3/C=CC(=CC3=O)F)N4CCOCC4)C(=O)O

DOS

IR

Vibrations