Geometry & MOs

Info

ID:

302343

PubChem CID:

124361346

Reduced:

NO7C26H29 (1)

Stoich.:

AB7C26D29 (1)

Weight, g/mol:

433.14199

ΔHf, kcal/mol:

-209.81

Dipole, Da:

7.75

IP(EA), eV:

 -8.94(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NOC(=O)C(C)(C)C

DOS

IR

Vibrations