Geometry & MOs

Info

ID:	387012
PubChem CID:	134983677
Reduced:	SC18H20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	328.074702
ΔH_f, kcal/mol:	20.0
Dipole, Da:	2.68
IP(EA), eV:	-8.39(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(CCC2=C1C)C3=CC=CC=C3)SC

DOS

IR

Vibrations