Geometry & MOs

Info

ID:

177035

PubChem CID:

76127579

Reduced:

NO4C19H29 (1)

Stoich.:

AB4C19D29 (1)

Weight, g/mol:

588.168556

ΔHf, kcal/mol:

-179.5

Dipole, Da:

5.51

IP(EA), eV:

 -9.04(0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[6-(2-aminoethylamino)-7H-imidazo[1,2-b]pyridazin-1-yl]methyl]-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)C2(CCCC3N2C4CC(C(C4C3)C=CCO)O)C(=O)O

DOS

IR

Vibrations