Geometry & MOs

Info

ID:	164039
PubChem CID:	74381599
Reduced:	BrFN3O3C29H31 (1)
Stoich.:	ABC3D3E29F31 (1)
Weight, g/mol:	508.111
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	4.01
IP(EA), eV:	-9.15(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC1=NC2=C(N1C3=CC=C(C=C3)CC(C(=O)O)NC4=C(C(=O)C45CCCCC5)Br)C=CC(=C2)F

DOS

IR

Vibrations