Geometry & MOs

Info

ID:	398045
PubChem CID:	135031472
Reduced:	BrO2F3N3H15C18 (1)
Stoich.:	AB2C3D3E15F18 (1)
Weight, g/mol:	582.07142
ΔH_f, kcal/mol:	-136.6
Dipole, Da:	2.17
IP(EA), eV:	-9.56(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-acetyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6-difluoro-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]-N-(3-bromophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N(CC=C)C1=NC(=C(C(=C1F)N(C2=CC(=CC=C2)Br)C(=O)C)F)F

DOS

IR

Vibrations