Geometry & MOs

Info

ID:

56796

PubChem CID:

22390367

Reduced:

SN5O9H27C28 (1)

Stoich.:

AB5C9D27E28 (1)

Weight, g/mol:

608.091467

ΔHf, kcal/mol:

-189.65

Dipole, Da:

10.66

IP(EA), eV:

 -9.16(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-chloro-7-[1-[3-(sulfamoylamino)propyl]pyridin-1-ium-2-carbonyl]imidazo[5,1-b][1,3]thiazol-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C5CCCN5C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O)C(C)O

DOS

IR

Vibrations