Geometry & MOs

Info

ID:	386828
PubChem CID:	134983062
Reduced:	SO3C20H24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	358.085266
ΔH_f, kcal/mol:	-82.41
Dipole, Da:	4.23
IP(EA), eV:	-8.16(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCC(C2=C(C=C1)SC)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations