Geometry & MOs

Info

ID:	222635
PubChem CID:	85305663
Reduced:	ClN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	386.02686
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	5.35
IP(EA), eV:	-9.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(methoxymethoxy)-6-oxo-2-phenylselanyl-7-oxabicyclo[2.2.1]heptan-2-yl] acetate

Drug info:

PubChemData

Smile

COC(=O)C1(C=CC(=O)CC1C2=CN=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations