Geometry & MOs

Info

ID:

219657

PubChem CID:

85164365

Reduced:

SiO9C28H36 (1)

Stoich.:

AB9C28D36 (1)

Weight, g/mol:

543.998918

ΔHf, kcal/mol:

-339.37

Dipole, Da:

6.68

IP(EA), eV:

 -8.7(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-carbamoyl-4-[(2,2,2-trichloroacetyl)carbamoyloxy]pyrrolidin-1-yl]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OCOCC[Si](C)(C)C

DOS

IR

Vibrations