Geometry & MOs

Info

ID:	180546
PubChem CID:	76651353
Reduced:	FN2O6H21C26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	525.03356
ΔH_f, kcal/mol:	-178.26
Dipole, Da:	1.11
IP(EA), eV:	-9.07(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-hydroxyimino-2-oxoindol-6-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations