Geometry & MOs

Info

ID:	164008
PubChem CID:	74381361
Reduced:	N3O8C28H37 (1)
Stoich.:	A3B8C28D37 (1)
Weight, g/mol:	534.12665
ΔH_f, kcal/mol:	-282.96
Dipole, Da:	1.1
IP(EA), eV:	-9.35(-1.81)
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-cyclopropylimidazo[4,5-b]pyridin-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CC(C(=O)C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)C)OC)OC(=O)N)C)C)OC

DOS

IR

Vibrations