Geometry & MOs

Info

ID:

219826

PubChem CID:

85164936

Reduced:

S2O7N11C21H21 (1)

Stoich.:

A2B7C11D21E21 (1)

Weight, g/mol:

604.114509

ΔHf, kcal/mol:

-42.86

Dipole, Da:

13.61

IP(EA), eV:

 -8.61(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxymethoxyimino)acetyl]amino]-3-[[3-(carbamoylamino)imidazo[1,2-b]pyridazin-4-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=C([N+]5=C4C=CC=N5)NC(=O)N)C(=O)[O-]

DOS

IR

Vibrations