Geometry & MOs

Info

ID:	144951
PubChem CID:	53436714
Reduced:	SN3O4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	304.118498
ΔH_f, kcal/mol:	-95.45
Dipole, Da:	1.51
IP(EA), eV:	-8.95(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-benzoyloxy-8-oxo-8-azoniabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1.C1=CN=CC=C1C(=O)O.NN.O=S=O

DOS

IR

Vibrations