Geometry & MOs

Info

ID:

47311

PubChem CID:

10531434

Reduced:

ClSO2N5C32H34 (1)

Stoich.:

ABC2D5E32F34 (1)

Weight, g/mol:

587.216506

ΔHf, kcal/mol:

-3.47

Dipole, Da:

5.51

IP(EA), eV:

 -8.41(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2S)-2-azaniumyl-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-4-oxobutyl]-[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]azanium;dichloride

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H]4CCCN4C(=S)NCC5=CC=CC=C5Cl

DOS

IR

Vibrations