Geometry & MOs

Info

ID:

178144

PubChem CID:

76285360

Reduced:

ClO2N3H10C11 (2)

Stoich.:

AB2C3D10E11 (2)

Weight, g/mol:

818.166961

ΔHf, kcal/mol:

-23.44

Dipole, Da:

1.27

IP(EA), eV:

 -8.81(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;[7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC=C3C(=C2)NN=C3C4=CN(N=C4)CC(=O)N5CC(C5)O)Cl)OC

DOS

IR

Vibrations