Geometry & MOs

Info

ID:

47024

PubChem CID:

10529003

Reduced:

Cl2S2N3O3C20H23 (1)

Stoich.:

A2B2C3D3E20F23 (1)

Weight, g/mol:

488.248229

ΔHf, kcal/mol:

-77.8

Dipole, Da:

15.43

IP(EA), eV:

 -8.02(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N'-[(2S,3R)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-2-methylpropanediamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)[NH+]4CCNCC4.[Cl-]

DOS

IR

Vibrations