Geometry & MOs

Info

ID:	148771
PubChem CID:	53788440
Reduced:	NSO6C17H33 (1)
Stoich.:	ABC6D17E33 (1)
Weight, g/mol:	344.046693
ΔH_f, kcal/mol:	-317.49
Dipole, Da:	4.27
IP(EA), eV:	-10.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N(CCC(=O)O)CCS(=O)(=O)O

DOS

IR

Vibrations