Geometry & MOs

Info

ID:

214534

PubChem CID:

85083162

Reduced:

ClFN3O6C27H29 (1)

Stoich.:

ABC3D6E27F29 (1)

Weight, g/mol:

545.001273

ΔHf, kcal/mol:

-179.55

Dipole, Da:

16.45

IP(EA), eV:

 -9.17(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-chloroethoxyimino)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)COC3=C(C=C(C=C3)Cl)C(=O)N4CC(CC4C(=O)N)O)OC5=CC=C(C=C5)F

DOS

IR

Vibrations