Geometry & MOs

Info

ID:

47341

PubChem CID:

10531671

Reduced:

S2O7N10C22H22 (1)

Stoich.:

A2B7C10D22E22 (1)

Weight, g/mol:

603.11926

ΔHf, kcal/mol:

-62.25

Dipole, Da:

10.02

IP(EA), eV:

 -8.51(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxymethoxyimino)acetyl]amino]-3-[[5-(carbamoylamino)imidazo[1,2-a]pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=C(N5C=C4)NC(=O)N)C(=O)[O-]

DOS

IR

Vibrations