Geometry & MOs

Info

ID:

219692

PubChem CID:

85164543

Reduced:

Na2S2C13O17H22 (1)

Stoich.:

A2B2C13D17E22 (1)

Weight, g/mol:

561.173176

ΔHf, kcal/mol:

-844.4

Dipole, Da:

14.55

IP(EA), eV:

 -10.2(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-(1-methyl-2-methylsulfonylimidazol-4-yl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-chloroacetate

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)COS(=O)(=O)[O-])O)O)O)O)O.[Na+].[Na+]

DOS

IR

Vibrations