Geometry & MOs

Info

ID:

185826

PubChem CID:

77356296

Reduced:

SiN3O8C29H44 (1)

Stoich.:

AB3C8D29E44 (1)

Weight, g/mol:

591.297592

ΔHf, kcal/mol:

-326.23

Dipole, Da:

7.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753424

Charge, e:

 0

Chem-info

IUPAC name:

6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[1-[4-(dimethylcarbamoyloxy)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]prop-1-en-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC1CC(CN1C(=O)OCC=C)OC(=O)N(C)C)C2=C(N3C(C2)C(C3=O)C(C)(C(C)(C)C)O[Si](C)C)C(=O)O

DOS

IR

Vibrations