Geometry & MOs

Info

ID:	186280
PubChem CID:	77413462
Reduced:	IO3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	357.95988
ΔH_f, kcal/mol:	-163.37
Dipole, Da:	6.95
IP(EA), eV:	-9.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-[(2-bromoacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)C(C1C=CCCCCCCI)CCCCCCC(=O)O

DOS

IR

Vibrations