Geometry & MOs

Info

ID:

358

PubChem CID:

2650

Reduced:

S2N6O7C22H22 (1)

Stoich.:

A2B6C7D22E22 (1)

Weight, g/mol:

546.099139

ΔHf, kcal/mol:

-117.41

Dipole, Da:

15.3

IP(EA), eV:

 -8.41(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]

DOS

IR

Vibrations