Geometry & MOs

Info

ID:	185539
PubChem CID:	77311867
Reduced:	BrF3O3N4H18C25 (1)
Stoich.:	AB3C3D4E18F25 (1)
Weight, g/mol:	542.09133
ΔH_f, kcal/mol:	-152.2
Dipole, Da:	4.15
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-bromo-2-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]carbamoyl]-1-methylindol-7-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C(=CC=C2)C3=CC=CC=C3C(F)(F)F)C(=O)NC4=C(C=C(C=C4)Br)C5NC(=O)ON5

DOS

IR

Vibrations