Geometry & MOs

Info

ID:

225631

PubChem CID:

87219082

Reduced:

SO3N4C27H34 (1)

Stoich.:

AB3C4D27E34 (1)

Weight, g/mol:

639.305684

ΔHf, kcal/mol:

-80.1

Dipole, Da:

5.22

IP(EA), eV:

 -9.08(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-butyl-5-[[(2S)-4-[[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]amino]-4-oxo-1-phenylbutan-2-yl]carbamoyl]imidazol-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CNC(=O)[C@@H](CC(C)C)CS

DOS

IR

Vibrations