Geometry & MOs

Info

ID:	447752
PubChem CID:	135285327
Reduced:	Cl2O3N4H22C26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	456.161997
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	2.14
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-phenylsulfanylphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CC[C@H](C1)N2C3=C(C=NC=C3)N(C2=O)C4=CC=C(C=C4)OCC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations