Geometry & MOs

Info

ID:	177061
PubChem CID:	76132165
Reduced:	F3O7C8H11 (1)
Stoich.:	A3B7C8D11 (1)
Weight, g/mol:	525.101485
ΔH_f, kcal/mol:	-454.34
Dipole, Da:	3.65
IP(EA), eV:	-10.6(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[[2-(6-aminopyridin-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(thieno[2,3-c]pyridin-6-ium-6-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC(=O)C(F)(F)F)O)O)O)O

DOS

IR

Vibrations