Geometry & MOs

Info

ID:	164018
PubChem CID:	74381460
Reduced:	ClO3N5H22C26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	527.172417
ΔH_f, kcal/mol:	20.62
Dipole, Da:	1.52
IP(EA), eV:	-9.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(C(=C(C1=O)Cl)NC(CC2=CC=C(C=C2)N3C4=C(C=CC=N4)N=C3C5=CN=CC=C5)C(=O)O)C

DOS

IR

Vibrations