Geometry & MOs

Info

ID:

45064

PubChem CID:

10507684

Reduced:

NSiO3C15H26 (2)

Stoich.:

ABC3D15E26 (2)

Weight, g/mol:

593.284949

ΔHf, kcal/mol:

-305.31

Dipole, Da:

3.74

IP(EA), eV:

 -8.81(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(C/C(=C(/C(=C)O[Si](C(C)C)(C(C)C)C(C)C)\[N+]#N)/[O-])C1=COC=C1C(=O)OC

DOS

IR

Vibrations