Geometry & MOs

Info

ID:

219825

PubChem CID:

85164935

Reduced:

Cl2O8C31H32 (1)

Stoich.:

A2B8C31D32 (1)

Weight, g/mol:

603.106684

ΔHf, kcal/mol:

-275.39

Dipole, Da:

3.3

IP(EA), eV:

 -9.33(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

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-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC(=O)CCl)OC(=O)CCl)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations