Geometry & MOs

Info

ID:	164009
PubChem CID:	74381365
Reduced:	BrO3N4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	562.08274
ΔH_f, kcal/mol:	-1.03
Dipole, Da:	3.49
IP(EA), eV:	-9.32(-0.91)
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-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)N4C(=NC5=C4N=CC=C5)C6CC6)C(=O)O

DOS

IR

Vibrations