Geometry & MOs

Info

ID:

158853

PubChem CID:

57244088

Reduced:

NSO4C9H11 (1)

Stoich.:

ABC4D9E11 (1)

Weight, g/mol:

647.279559

ΔHf, kcal/mol:

-126.96

Dipole, Da:

4.72

IP(EA), eV:

 -9.22(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-[(3R)-3-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[1-hydroxy-2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-oxoazetidin-2-yl]-2-sulfanylidenebutyl]propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=CS(CC(=O)O)(O)O

DOS

IR

Vibrations