Geometry & MOs

Info

ID:	310898
PubChem CID:	126588396
Reduced:	NSF3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	435.204573
ΔH_f, kcal/mol:	-241.49
Dipole, Da:	6.37
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 5-oxo-3-propyl-2,3,4,6-tetrahydro-1H-cyclopenta[c]pyrrole-3a,6a-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OC)NC(=S)OC)C(F)(F)F

DOS

IR

Vibrations