Geometry & MOs

Info

ID:

222803

PubChem CID:

85332568

Reduced:

O2Cl4N5C22H33 (1)

Stoich.:

A2B4C5D22E33 (1)

Weight, g/mol:

536.111055

ΔHf, kcal/mol:

-150.69

Dipole, Da:

5.75

IP(EA), eV:

 -8.64(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[[1-(carboxymethylamino)-3-(3-ethoxy-2-ethoxyimino-3-oxopropyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CC(=C(C=C2)Cl)Cl)N)C(=O)NCC3CCC4C(C3)CNN4.Cl.Cl

DOS

IR

Vibrations