Geometry & MOs

Info

ID:	185727
PubChem CID:	77340535
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	400.070502
ΔH_f, kcal/mol:	-119.7
Dipole, Da:	1.37
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-(acetyloxymethyl)-7-benzamido-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)C=CC1=CC=CC=C1OC

DOS

IR

Vibrations