Geometry & MOs

Info

ID:	191455
PubChem CID:	78148264
Reduced:	O8C33H46 (1)
Stoich.:	A8B33C46 (1)
Weight, g/mol:	511.215887
ΔH_f, kcal/mol:	-344.67
Dipole, Da:	3.74
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-benzyl-3-[3-[(4-fluorophenyl)methylidene]-4-oxocyclopentyl]-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1C=CCCC2CCCC(O2)CC3CC(=CC(=O)OC)CC(O3)CC(=O)OC1C=CC=CC=C(C)CC(=O)OC

DOS

IR

Vibrations