Geometry & MOs

Info

ID:

185828

PubChem CID:

77356319

Reduced:

SiN3O7C29H46 (1)

Stoich.:

AB3C7D29E46 (1)

Weight, g/mol:

577.318327

ΔHf, kcal/mol:

-284.35

Dipole, Da:

5.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753513

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[4-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-[methyl(prop-2-enoxycarbonyl)amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1CC(CN1C(=O)OCC=C)N(C)C(=O)OCC=C)C(=O)CC2C(C(=O)N2)C(C)(C(C)(C)C)O[Si](C)C

DOS

IR

Vibrations