Geometry & MOs

Info

ID:

316073

PubChem CID:

126629935

Reduced:

ClN4O6C22H39 (1)

Stoich.:

AB4C6D22E39 (1)

Weight, g/mol:

523.279469

ΔHf, kcal/mol:

-333.17

Dipole, Da:

1.79

IP(EA), eV:

 -8.94(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-(7-ethenylquinolin-2-yl)ethyl] (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations