Geometry & MOs

Info

ID:

218796

PubChem CID:

85089982

Reduced:

PNa2O7C23H45 (1)

Stoich.:

AB2C7D23E45 (1)

Weight, g/mol:

510.056229

ΔHf, kcal/mol:

-396.25

Dipole, Da:

6.48

IP(EA), eV:

 -4.68(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[2-(2H-triazol-4-yl)ethylsulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(C(=O)[O-])[O-])OC.[Na+].[Na+]

DOS

IR

Vibrations