Geometry & MOs

Info

ID:	56788
PubChem CID:	22390097
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	443.138916
ΔH_f, kcal/mol:	-132.97
Dipole, Da:	3.75
IP(EA), eV:	-10.3(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[7-(piperidine-4-carbonyl)imidazo[5,1-b][1,3]thiazol-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCC(=O)OO

DOS

IR

Vibrations