Geometry & MOs

Info

ID:	163914
PubChem CID:	74380791
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	550.15795
ΔH_f, kcal/mol:	-141.05
Dipole, Da:	3.4
IP(EA), eV:	-10.43(-0.19)
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-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC2C3C(C1O2)C(=O)N(C3=O)CCCO

DOS

IR

Vibrations