Geometry & MOs

Info

ID:	304397
PubChem CID:	124579687
Reduced:	ClN3O6H20C21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	420.120903
ΔH_f, kcal/mol:	-184.98
Dipole, Da:	5.84
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-benzoyloxyphenyl)-2-oxoethyl] (1R,3R,6S,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations