Geometry & MOs

Info

ID:	147537
PubChem CID:	53787193
Reduced:	O3C12H26 (1)
Stoich.:	A3B12C26 (1)
Weight, g/mol:	485.056272
ΔH_f, kcal/mol:	-179.12
Dipole, Da:	1.39
IP(EA), eV:	-9.76(1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-7-amino-3-[[2-(ethoxycarbonylsulfamoyl)benzoyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCOC(CCCCO)CO

DOS

IR

Vibrations