Geometry & MOs

Info

ID:

81037

PubChem CID:

49854277

Reduced:

ON2C19H22 (1)

Stoich.:

AB2C19D22 (1)

Weight, g/mol:

1232.045367

ΔHf, kcal/mol:

-6.68

Dipole, Da:

3.06

IP(EA), eV:

 -8.03(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CCCC2C3=CC=CC=C3NC2=O

DOS

IR

Vibrations