Geometry & MOs

Info

ID:	66500
PubChem CID:	46504693
Reduced:	FNOCl2H8C15 (1)
Stoich.:	ABCD2E8F15 (1)
Weight, g/mol:	355.05718
ΔH_f, kcal/mol:	-35.71
Dipole, Da:	0.48
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-bromo-3-[(4-tert-butylphenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)Cl

DOS

IR

Vibrations