Geometry & MOs

Info

ID:

47415

PubChem CID:

10532479

Reduced:

O2N5C33H45 (1)

Stoich.:

A2B5C33D45 (1)

Weight, g/mol:

672.022346

ΔHf, kcal/mol:

-50.34

Dipole, Da:

2.08

IP(EA), eV:

 -8.51(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-(fluoromethoxyimino)-2-[5-(sulfoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[(E)-2-(1-methylimidazo[1,2-b]pyridazin-1-ium-6-yl)sulfanylethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCCN(CCC1)CCC(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)NC(=O)CCN5CCCCCCC5

DOS

IR

Vibrations