Geometry & MOs

Info

ID:	141013
PubChem CID:	52801037
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	444.159769
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	5.18
IP(EA), eV:	-9.44(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(1-benzofuran-2-yl)-3-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@H](C)NC(=O)CNC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations