Geometry & MOs

Info

ID:	164016
PubChem CID:	74381450
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	571.1219
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	9.56
IP(EA), eV:	-8.72(-1.11)
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-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)NC2=CC=C(N3C2=NC=C3)C4CCNC(=O)C4

DOS

IR

Vibrations