Geometry & MOs

Info

ID:	180547
PubChem CID:	76651354
Reduced:	BrFN3O5H17C24 (1)
Stoich.:	ABC3D5E17F24 (1)
Weight, g/mol:	408.147393
ΔH_f, kcal/mol:	-122.1
Dipole, Da:	7.17
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxyimino-6-naphthalen-2-yl-1-(2-phenoxyethyl)indol-2-one

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)F)CN3C4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5Br)C(=NO)C3=O)OCO1

DOS

IR

Vibrations