Geometry & MOs

Info

ID:

45001

PubChem CID:

10507107

Reduced:

NO6H31C35 (1)

Stoich.:

AB6C31D35 (1)

Weight, g/mol:

561.173176

ΔHf, kcal/mol:

-148.43

Dipole, Da:

7.72

IP(EA), eV:

 -8.9(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[(2R,3S)-3-[(1R)-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

COC1=C(C=C2[C@@H]([C@@H]3[C@@H](CC2=C1)CN([C@H]3CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)O)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations