Geometry & MOs

Info

ID:

176953

PubChem CID:

76116668

Reduced:

O7C27H50 (1)

Stoich.:

A7B27C50 (1)

Weight, g/mol:

558.086563

ΔHf, kcal/mol:

-407.43

Dipole, Da:

4.83

IP(EA), eV:

 -10.14(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(6-carboxypyrrolo[1,2-a]pyrazin-2-ium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC1C(COC1C(CO)OC(=O)CC)O

DOS

IR

Vibrations