Geometry & MOs

Info

ID:	191458
PubChem CID:	78148267
Reduced:	BrNO4H30C32 (1)
Stoich.:	ABC4D30E32 (1)
Weight, g/mol:	538.210387
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	5.06
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(CC3=CC=CC=C3)C4CC(=CC5=CC=C(C=C5)Br)C(=O)C4

DOS

IR

Vibrations