Geometry & MOs

Info

ID:	386729
PubChem CID:	134982707
Reduced:	NO5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	358.085266
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	3.77
IP(EA), eV:	-8.79(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,6S)-6-fluoro-5-(4-methoxyphenyl)-7-oxo-5H-cyclopenta[f][1,3]benzodioxole-6-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=O)CC(C2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations