Geometry & MOs

Info

ID:	438856
PubChem CID:	135228614
Reduced:	FSO4N5C27H32 (1)
Stoich.:	ABC4D5E27F32 (1)
Weight, g/mol:	446.136553
ΔH_f, kcal/mol:	-151.02
Dipole, Da:	6.31
IP(EA), eV:	-8.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8bR)-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=C(C=CC(=C3)F)OC)C(C)(C)C(=O)N4CCCC4)/N=C/C=C\N

DOS

IR

Vibrations