Geometry & MOs

Info

ID:

233526

PubChem CID:

91145273

Reduced:

FIN3O6H27C28 (1)

Stoich.:

ABC3D6E27F28 (1)

Weight, g/mol:

439.214092

ΔHf, kcal/mol:

-202.92

Dipole, Da:

2.55

IP(EA), eV:

 -8.67(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N'-hydroxy-N-methyl-2-(2-methylpropyl)-3-(methylsulfanylmethyl)butanediamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)NC2=C(C=C(C=C2)I)F)N3C(=C(NC3=O)C4=CC=C(C=C4)OC(CO)CO)O

DOS

IR

Vibrations