Geometry & MOs

Info

ID:	169272
PubChem CID:	75083489
Reduced:	Cl2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	288.041607
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	2.14
IP(EA), eV:	-9.46(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-amino-2-oxoethylidene)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(=O)CCC(=NOC)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations